Space group table look all right. Export Graphics is implemented; it is working on...

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@481 a2be9bc6-48de-4e38-9406-05402d4bc13c

diff --git a/Makefile b/Makefile
index 2ad2af1..016d07a 100755 (executable)
--- a/Makefile
+++ b/Makefile
@@ -53,7 +53,7 @@ ifeq ($(DEBUG),1)
  COPT = -O0 -g
 else
  DESTPREFIX = build/release
- COPT = -O2
+ COPT = -O2 -g
 endif
 DESTDIR = $(PWD)/$(DESTPREFIX)
 CFLAGS = $(CPPFLAGS) $(COPT) $(CPP_EXTRA_FLAGS) $(RUBY_CFLAGS) $(WX_CPPFLAGS)

diff --git a/MolLib/Ruby_bind/Molby_extern.h b/MolLib/Ruby_bind/Molby_extern.h
index 289aa9e..958df00 100755 (executable)
--- a/MolLib/Ruby_bind/Molby_extern.h
+++ b/MolLib/Ruby_bind/Molby_extern.h
@@ -45,7 +45,7 @@ extern void Molby_buildARGV(int argc, const char **argv);
 /*  RubyValue version of Ruby_funcall2_protect()  */
 extern RubyValue Ruby_funcall2_protect_extern(RubyValue recv, int mid, int argc, RubyValue *argv, int *status);
 
-extern int g_RubyID_call;  /*  rb_intern("call") for extrenal use  */
+extern int g_RubyID_call;  /*  rb_intern("call") for external use  */
        
 STUB char *MyAppCallback_getGUIDescriptionString(void);
 STUB char *MyAppCallback_getGlobalSettings(const char *key);
@@ -78,7 +78,8 @@ STUB void MyAppCallback_hideConsoleWindow(void);
 STUB void MyAppCallback_bell(void);
 STUB int MyAppCallback_playSound(const char *filename, int flag);
 STUB void MyAppCallback_stopSound(void);
-
+STUB void MyAppCallback_initImageHandlers(void);
+       
 #define DUMMY_CALLBACK ((int (*)(void *))1)
 
 #ifdef __cplusplus

diff --git a/Scripts/crystal.rb b/Scripts/crystal.rb
index 6c5a321..b034cc4 100755 (executable)
--- a/Scripts/crystal.rb
+++ b/Scripts/crystal.rb
@@ -48,23 +48,6 @@ def symmetry_to_string(sym)
   str = ""
   3.times { |j|
     s = ""
-       ["x", "y", "z"].each_with_index { |t, i|
-         a = sym[i, j]
-         if a.abs < 1e-4
-           next
-         elsif (a - 1.0).abs < 1e-4
-           s += (s == "" ? t : "+" + t)
-         elsif (a + 1.0).abs < 1e-4
-           s += "-" + t
-         else
-           if a > 0.0 && s != ""
-                 s += "+"
-               elsif a < 0.0
-                 s += "-"
-               end
-               s += sprintf("%.4f", a.abs) + t
-         end
-       }
        a = sym[3, j]
        if a.abs > 1e-4
          if a > 0.0 && s != ""
@@ -92,6 +75,23 @@ def symmetry_to_string(sym)
            s += sprintf("%.4f", a)
          end
        end
+       ["x", "y", "z"].each_with_index { |t, i|
+         a = sym[i, j]
+         if a.abs < 1e-4
+           next
+         elsif (a - 1.0).abs < 1e-4
+           s += (s == "" ? t : "+" + t)
+         elsif (a + 1.0).abs < 1e-4
+           s += "-" + t
+         else
+           if a > 0.0 && s != ""
+                 s += "+"
+               elsif a < 0.0
+                 s += "-"
+               end
+               s += sprintf("%.4f", a.abs) + t
+         end
+       }
        str += s
        if j < 2
          str += ", "
@@ -1994,101 +1994,117 @@ def Molecule.check_space_group
   }
 end
 
-def cmd_symmetry_operations
-
-  mol = self
-  syms = mol.symmetries
+def Molecule.setup_space_groups
+  if defined?(@@space_groups)
+    return @@space_groups
+  end
 
-  debug = true
+  #  The debug flag causes self-check of the space group table
+  debug = false
+  
   lines = [] if debug
 
-  if !defined?(@@space_groups)
-    @@space_groups = []       #  Sequential table of space groups (array of [name, array_of_transform])
-    @@space_group_list = []   #  [["Triclinic",    -> Crystal system
-                                 #     ["#1: P1",     -> Space group family
-                                                         #       [["P1", 0]]],-> Variations
-                                             #     ...
-                                                         #   ["Monoclinic",
-                                                         #     ...
-                                                         #     ["#7: Pc",
-                                                         #       [["Pc", 6], ["Pa", 7], ["Pn", 8]]],
-                                                         #     ... ]]
-       last_group_code = 0
-    open(ScriptPath + "/space_groups.txt", "r") { |fp|
-         while ln = fp.gets
-           lines.push(ln) if debug
-           if ln =~ /\[(\w+)\]/
-                 label = $1
-                 @@space_group_list.push([label, []])
-                 next
-               end
-               if ln =~ /^(\d+) +(.*)$/
-                 group_code = $1.to_i
-                 group_name = $2
-                 name = "#" + $1 + ": " + $2
-                 group = []
-                 group_gen = []
-                 while ln = fp.gets
-                   lines.push(ln) if debug
-                   ln.chomp!
-                       if ln =~ /^\s*$/
-                         break
-                       elsif ln =~ /^\+\(/
-                         lattice = ln.scan(/((^\+)|,)\(([\/,0-9]+)\)/).map {
-                           |a| a[2].split(/, */).map {
-                                 |x| (x == "1/2" ? 0.5 : (x == "0" ? 0.0 : (raise "Cannot parse lattice generator: #{a[0]}"))) } }
-                         lattice.each { |lat|
-                           group.each { |tr|
-                                 tr = tr.dup
-                                 tr[3, 0] += lat[0]
-                                 tr[3, 1] += lat[1]
-                                 tr[3, 2] += lat[2]
-                                 group_gen.push(tr)
-                               }
+  @@space_groups = []       #  Sequential table of space groups (array of [name, array_of_transform])
+  @@space_group_list = []   #  [["Triclinic",    -> Crystal system
+                                                       #     ["#1: P1",     -> Space group family
+                                                       #       [["P1", 0]]],-> Variations
+                                                       #     ...
+                                                       #   ["Monoclinic",
+                                                       #     ...
+                                                       #     ["#7: Pc",
+                                                       #       [["Pc", 6], ["Pa", 7], ["Pn", 8]]],
+                                                       #     ... ]]
+  last_group_code = 0
+  Kernel.open(ScriptPath + "/space_groups.txt", "r") { |fp|
+       while ln = fp.gets
+         lines.push(ln) if debug
+         if ln =~ /\[(\w+)\]/
+               label = $1
+               @@space_group_list.push([label, []])
+               next
+         end
+         if ln =~ /^(\d+) +(.*)$/
+               group_code = $1.to_i
+               group_name = $2
+           name = "#" + $1 + ": " + $2
+               group = []
+               group_gen = []
+               while ln = fp.gets
+                 lines.push(ln.dup) if debug
+                 ln.chomp!
+                 if ln =~ /^\s*$/
+                       break
+                 elsif ln =~ /^\+\(/
+                       lattice = ln.scan(/((^\+)|,)\(([\/,0-9]+)\)/).map {
+                         |a| a[2].split(/, */).map {
+                               |x| if x =~ /^(\d+)\/(\d+)$/
+                                     $1.to_f / $2.to_f
+                                       else
+                                         x.to_f
+                                       end } }
+                       lattice.each { |lat|
+                         group.each { |tr|
+                               tr = tr.dup
+                               tr[3, 0] += lat[0]
+                               tr[3, 1] += lat[1]
+                               tr[3, 2] += lat[2]
+                               group_gen.push(tr)
                          }
-                       else
-                         #  Rectify the shorthand descriptions
-                         ln1 = ln.dup if debug
-                         mod = false
-                         mod = ln.gsub!(/(\d)(\d)/, "\\1/\\2")
-                         mod = ln.gsub!(/(^|[^\/])(\d)([^\/]|$)/, "\\11/\\2\\3") || mod
-                         mod = ln.gsub!(/([0-9xyzXYZ])([xyzXYZ])/, "\\1+\\2") || mod
-                         if debug && mod
-                           puts "#{fp.lineno}: #{ln1} -> #{ln}\n"
-                               lines[-1] = ln + "\n"
-                         end
-                         begin
-                           group.push(string_to_symmetry(ln))
-                         rescue
-                           error_message_box($!.message + "(line #{fp.lineno})")
+                       }
+                 else
+                       #  Rectify the shorthand descriptions
+                       ln1 = ln.dup if debug
+                       mod = false
+                       mod = ln.gsub!(/(\d)(\d)/, "\\1/\\2")
+                       mod = ln.gsub!(/(^|[^\/])(\d)([^\/]|$)/, "\\11/\\2\\3") || mod
+                       mod = ln.gsub!(/([0-9xyzXYZ])([xyzXYZ])/, "\\1+\\2") || mod
+                       if debug && mod
+                         puts "#{fp.lineno}: #{ln1} -> #{ln}\n"
+                       end
+                       begin
+                         group.push(string_to_symmetry(ln))
+                         if debug
+                               lines[-1] = symmetry_to_string(group[-1]).gsub(/ +/, "") + "\n"
                          end
+                       rescue
+                         error_message_box($!.message + "(line #{fp.lineno})")
                        end
                  end
-                 group.concat(group_gen)
-                 @@space_groups.push([name, group])
-                 group_index = @@space_groups.count - 1
-                 if last_group_code != group_code
-                   idx = (name.index(" (") || 0) - 1  #  Remove parenthesized phrase
-                   group_family_name = name[0..idx]
-                       @@space_group_list[-1][1].push([group_family_name, []])
-                       last_group_code = group_code
-                 end
-                 @@space_group_list[-1][1][-1][1].push([group_name, group_index])
                end
+               group.concat(group_gen)
+               @@space_groups.push([name, group])
+               group_index = @@space_groups.count - 1
+               if last_group_code != group_code
+                 idx = (name.index(" (") || 0) - 1  #  Remove parenthesized phrase
+                 group_family_name = name[0..idx]
+                 @@space_group_list[-1][1].push([group_family_name, []])
+                 last_group_code = group_code
+               end
+               @@space_group_list[-1][1][-1][1].push([group_name, group_index])
          end
-       }
-       if debug
-         Molecule.check_space_group
-         fn = save_panel("Save modified space_group.txt:")
-         if fn
-           open(fn, "w") { |fp|
-                 lines.each { |ln|
-                   fp.print ln + "\n"
-                 }
+       end
+  }
+  if debug
+       Molecule.check_space_group
+       fn = Dialog.save_panel("Save modified space_group.txt:")
+       if fn
+         Kernel.open(fn, "w") { |fp|
+               lines.each { |ln|
+                 fp.print ln
                }
-         end
+         }
        end
-       
+  end
+  return @@space_groups
+end
+
+def cmd_symmetry_operations
+
+  mol = self
+  syms = mol.symmetries
+
+  if !defined?(@@space_groups)
+    Molecule.setup_space_groups
   end
 
   #  Menu titles

diff --git a/Scripts/space_groups.txt b/Scripts/space_groups.txt
index d9da5f0..b3173f8 100644 (file)
--- a/Scripts/space_groups.txt
+++ b/Scripts/space_groups.txt
@@ -11,9 +11,9 @@ x,y,z
 x,y,z
 -x,y,-z
 
-4 P21
+4 P2(1)
 x,y,z
--x,y+1/2,-z
+-x,1/2+y,-z
 
 5 C2
 x,y,z
@@ -26,15 +26,15 @@ x,-y,z
 
 7 Pc
 x,y,z
-x,-y,z+1/2
+x,-y,1/2+z
 
 7 Pa
 x,y,z
-x+1/2,-y,z
+1/2+x,-y,z
 
 7 Pn
 x,y,z
-x+1/2,-y,z+1/2
+1/2+x,-y,1/2+z
 
 8 Cm
 x,y,z
@@ -43,7 +43,7 @@ x,-y,z
 
 9 Cc
 x,y,z
-x,-y,z+1/2
+x,-y,1/2+z
 +(1/2,1/2,0)
 
 10 P2/m
@@ -52,11 +52,11 @@ x,y,z
 -x,-y,-z
 x,-y,z
 
-11 P21/m
+11 P2(1)/m
 x,y,z
--x,y+1/2,-z
+-x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,z
+x,1/2-y,z
 
 12 C2/m
 x,y,z
@@ -67,52 +67,52 @@ x,-y,z
 
 13 P2/c
 x,y,z
--x,y,-z+1/2
+-x,y,1/2-z
 -x,-y,-z
-x,-y,z+1/2
+x,-y,1/2+z
 
 13 P2/a
 x,y,z
--x+1/2,y,-z
+1/2-x,y,-z
 -x,-y,-z
-x+1/2,-y,z
+1/2+x,-y,z
 
 13 P2/n
 x,y,z
--x+1/2,y,-z+1/2
+1/2-x,y,1/2-z
 -x,-y,-z
-x+1/2,-y,z+1/2
+1/2+x,-y,1/2+z
 
-14 P21/c
+14 P2(1)/c
 x,y,z
--x,y+1/2,-z+1/2
+-x,1/2+y,1/2-z
 -x,-y,-z
-x,-y+1/2,z+1/2
+x,1/2-y,1/2+z
 
-14 P21/a
+14 P2(1)/a
 x,y,z
--x+1/2,y+1/2,-z
+1/2-x,1/2+y,-z
 -x,-y,-z
-x+1/2,-y+1/2,z
+1/2+x,1/2-y,z
 
-14 P21/n
+14 P2(1)/n
 x,y,z
--x+1/2,y+1/2,-z+1/2
+1/2-x,1/2+y,1/2-z
 -x,-y,-z
-x+1/2,-y+1/2,z+1/2
+1/2+x,1/2-y,1/2+z
 
 15 C2/c (c-glide)
 x,y,z
--x,y,-z+1/2
+-x,y,1/2-z
 -x,-y,-z
-x,-y,z+1/2
+x,-y,1/2+z
 +(1/2,1/2,0)
 
 15 C2/c (n-glide)
 x,y,z
--x+1/2,y,-z+1/2
+1/2-x,y,1/2-z
 -x,-y,-z
-x+1/2,-y,z+1/2
+1/2+x,-y,1/2+z
 +(1/2,1/2,0)
 
 [Orthorhombic]
@@ -122,53 +122,84 @@ x,-y,-z
 -x,y,-z
 -x,-y,z
 
-17 P2221 (x)
+17 P222(1) (x 2-axis)
 x,y,z
 x,-y,-z
--x,y,-z+1/2
--x,-y,z+1/2
+-x,y,1/2-z
+-x,-y,1/2+z
 
-17 P2221 (y)
+17 P222(1) (y 2-axis)
 x,y,z
-x,-y,-z+1/2
+x,-y,1/2-z
 -x,y,-z
--x,-y,z+1/2
+-x,-y,1/2+z
 
-17 P2212 (z)
+17 P22(1)2 (z 2-axis)
 x,y,z
-x,-y+1/2,-z
--x,y+1/2,-z
+x,1/2-y,-z
+-x,1/2+y,-z
 -x,-y,z
 
-17 P2212 (x)
+17 P22(1)2 (x 2-axis)
 x,y,z
 x,-y,-z
--x,y+1/2,-z
--x,-y+1/2,z
+-x,1/2+y,-z
+-x,1/2-y,z
+
+17 P2(1)22 (y 2-axis)
+x,y,z
+1/2+x,-y,-z
+-x,y,-z
+1/2-x,-y,z
 
-18 P21212
+17 P2(1)22 (z 2-axis)
 x,y,z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
+1/2+x,-y,-z
+1/2-x,y,-z
 -x,-y,z
 
-19 P212121
+18 P2(1)2(1)2
+x,y,z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+-x,-y,z
+
+18 P2(1)22(1)
+x,y,z
+1/2+x,-y,1/2-z
+-x,y,-z
+1/2-x,-y,1/2+z
+
+18 P22(1)2(1)
 x,y,z
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--x+1/2,-y,z+1/2
+x,-y,-z
+-x,1/2+y,1/2-z
+-x,1/2-y,1/2+z
+
+19 P2(1)2(1)2(1)
+x,y,z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 
-19 P212121 (alt.)
+19 P2(1)2(1)2(1) (alt.)
 x,y,z
-x+1/2,-y,-z+1/2
--x+1/2,y+1/2,-z
--x,-y+1/2,z+1/2
+1/2+x,-y,1/2-z
+1/2-x,1/2+y,-z
+-x,1/2-y,1/2+z
 
-20 C2221
+20 C222(1)
 x,y,z
 x,-y,-z
--x,y,-z+1/2
--x,-y,z+1/2
+-x,y,1/2-z
+-x,-y,1/2+z
++(1/2,1/2,0)
+
+20 C222(1) (alt.)
+x,y,z
+x,-y,1/2-z
+-x,y,-z
+-x,-y,1/2+z
 +(1/2,1/2,0)
 
 21 C222
@@ -192,11 +223,11 @@ x,-y,-z
 -x,-y,z
 +(1/2,1/2,1/2)
 
-24 I212121
+24 I2(1)2(1)2(1)
 x,y,z
-x,-y,-z+1/2
--x+1/2,y,-z
--x,-y+1/2,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 +(1/2,1/2,1/2)
 
 25 Pmm2
@@ -205,60 +236,288 @@ x,y,z
 x,-y,z
 -x,-y,z
 
-26 Pmc21
+25 Pm2m
+x,y,z
+-x,y,z
+-x,y,-z
+x,y,-z
+
+25 P2mm
+x,y,z
+x,-y,-z
+x,-y,z
+x,y,-z
+
+26 Pmc2(1)
+x,y,z
+-x,y,z
+x,-y,1/2+z
+-x,-y,1/2+z
+
+26 Pcm2(1)
+x,y,z
+-x,y,1/2+z
+x,-y,z
+-x,-y,1/2+z
+
+26 Pb2(1)m
+x,y,z
+-x,1/2+y,z
+-x,1/2+y,-z
+x,y,-z
+
+26 Pm2(1)b
 x,y,z
 -x,y,z
-x,-y,z+1/2
--x,-y,z+1/2
+-x,1/2+y,-z
+x,1/2+y,-z
+
+26 P2(1)ma
+x,y,z
+1/2+x,-y,-z
+x,-y,z
+1/2+x,y,-z
+
+26 P2(1)am
+x,y,z
+1/2+x,-y,-z
+1/2+x,-y,z
+x,y,-z
 
 27 Pcc2
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 -x,-y,z
 
+27 Pb2b
+x,y,z
+-x,1/2+y,z
+-x,y,-z
+x,1/2+y,-z
+
+27 P2aa
+x,y,z
+x,-y,-z
+1/2+x,-y,z
+1/2+x,y,-z
+
 28 Pma2
 x,y,z
--x+1/2,y,z
-x+1/2,-y,z
+1/2-x,y,z
+1/2+x,-y,z
+-x,-y,z
+
+28 Pbm2
+x,y,z
+-x,1/2+y,z
+x,1/2-y,z
 -x,-y,z
 
-29 Pca21
+28 Pc2m
+x,y,z
+-x,y,1/2+z
+-x,y,-z
+x,y,1/2-z
+
+28 Pm2a
+x,y,z
+1/2-x,y,z
+-x,y,-z
+1/2+x,y,-z
+
+28 P2mb
+x,y,z
+x,-y,-z
+x,1/2-y,z
+x,1/2+y,-z
+
+28 P2cm
+x,y,z
+x,-y,-z
+x,-y,1/2+z
+x,y,1/2-z
+
+29 Pca2(1)
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,-y,z
+-x,-y,1/2+z
+
+29 Pbc2(1)
+x,y,z
+-x,1/2+y,z
+x,1/2-y,1/2+z
+-x,-y,1/2+z
+
+29 Pc2(1)b
+x,y,z
+-x,y,1/2+z
+-x,1/2+y,-z
+x,1/2+y,1/2-z
+
+29 Pb2(1)a
+x,y,z
+-x,1/2+y,z
+1/2-x,1/2+y,-z
+1/2+x,y,-z
+
+29 P2(1)ab
+x,y,z
+1/2+x,-y,-z
+1/2+x,1/2-y,z
+x,1/2+y,-z
+
+29 P2(1)ca
 x,y,z
--x+1/2,y,z+1/2
-x+1/2,-y,z
--x,-y,z+1/2
+1/2+x,-y,-z
+x,-y,1/2+z
+1/2+x,y,1/2-z
 
 30 Pnc2
 x,y,z
--x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
+-x,1/2+y,1/2+z
+x,1/2-y,1/2+z
+-x,-y,z
+
+30 Pcn2
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,-y,1/2+z
 -x,-y,z
 
-31 Pmn21
+30 Pb2n
+x,y,z
+1/2-x,1/2+y,z
+-x,y,-z
+1/2+x,1/2+y,-z
+
+30 Pn2b
+x,y,z
+-x,1/2+y,1/2+z
+-x,y,-z
+x,1/2+y,1/2-z
+
+30 P2na
+x,y,z
+x,-y,-z
+1/2+x,-y,1/2+z
+1/2+x,y,1/2-z
+
+30 P2an
+x,y,z
+x,-y,-z
+1/2+x,1/2-y,z
+1/2+x,1/2+y,-z
+
+31 Pmn2(1)
 x,y,z
 -x,y,z
-x+1/2,-y,z+1/2
--x+1/2,-y,z+1/2
+1/2+x,-y,1/2+z
+1/2-x,-y,1/2+z
+
+31 Pnm2(1)
+x,y,z
+-x,1/2+y,1/2+z
+x,-y,z
+-x,1/2-y,1/2+z
+
+31 Pn2(1)m
+x,y,z
+-x,1/2+y,1/2+z
+-x,1/2+y,1/2-z
+x,y,-z
+
+31 Pm2(1)n
+x,y,z
+-x,y,z
+1/2-x,1/2+y,-z
+1/2+x,1/2+y,-z
+
+31 P2(1)mn
+x,y,z
+1/2+x,1/2-y,-z
+x,-y,z
+1/2+x,1/2+y,-z
+
+31 P2(1)nm
+x,y,z
+1/2+x,-y,1/2-z
+1/2+x,-y,1/2+z
+x,y,-z
 
 32 Pba2
 x,y,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 -x,-y,z
 
-33 Pna21
+32 Pc2a
+x,y,z
+1/2-x,y,1/2+z
+-x,y,-z
+1/2+x,y,1/2-z
+
+32 P2cb
+x,y,z
+x,-y,-z
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
+
+33 Pna2(1)
+x,y,z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,z
+-x,-y,1/2+z
+
+33 Pbn2(1)
 x,y,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z
--x,-y,z+1/2
+1/2-x,1/2+y,z
+1/2+x,1/2-y,1/2+z
+-x,-y,1/2+z
+
+33 Pc2(1)n
+x,y,z
+1/2-x,y,1/2+z
+-x,1/2+y,-z
+1/2+x,1/2+y,1/2-z
+
+33 Pn2(1)a
+x,y,z
+1/2-x,1/2+y,1/2+z
+-x,1/2+y,-z
+1/2+x,y,1/2-z
+
+33 P2(1)nb
+x,y,z
+1/2+x,-y,-z
+1/2+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
+
+33 P2(1)cn
+x,y,z
+1/2+x,-y,-z
+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
 
 34 Pnn2
 x,y,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 -x,-y,z
 
+34 Pn2n
+x,y,z
+1/2-x,1/2+y,1/2+z
+-x,y,-z
+1/2+x,1/2+y,1/2-z
+
+34 P2nn
+x,y,z
+x,-y,-z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+
 35 Cmm2
 x,y,z
 -x,y,z
@@ -266,17 +525,24 @@ x,-y,z
 -x,-y,z
 +(1/2,1/2,0)
 
-36 Cmc21
+36 Cmc2(1)
 x,y,z
 -x,y,z
-x,-y,z+1/2
--x,-y,z+1/2
+x,-y,1/2+z
+-x,-y,1/2+z
++(1/2,1/2,0)
+
+36 Ccm2(1)
+x,y,z
+-x,y,1/2+z
+x,-y,z
+-x,-y,1/2+z
 +(1/2,1/2,0)
 
 37 Ccc2
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 -x,-y,z
 +(1/2,1/2,0)
 
@@ -287,27 +553,83 @@ x,-y,z
 -x,-y,z
 +(0,1/2,1/2)
 
+38 Cm2m
+x,y,z
+-x,y,z
+-x,y,-z
+x,y,-z
++(1/2,1/2,0)
+
+38 C2mm
+x,y,z
+x,-y,-z
+x,-y,z
+x,y,-z
++(1/2,1/2,0)
+
 39 Abm2
 x,y,z
--x,y+1/2,z
-x,-y+1/2,z
+-x,1/2+y,z
+x,1/2-y,z
 -x,-y,z
 +(0,1/2,1/2)
 
+39 Cm2a
+x,y,z
+-x,1/2+y,z
+-x,y,-z
+x,1/2+y,-z
++(1/2,1/2,0)
+
+39 C2ma
+x,y,z
+x,-y,-z
+x,1/2-y,z
+x,1/2+y,-z
++(1/2,1/2,0)
+
 40 Ama2
 x,y,z
--x+1/2,y,z
-x+1/2,-y,z
+1/2-x,y,z
+1/2+x,-y,z
 -x,-y,z
 +(0,1/2,1/2)
 
+40 Cc2m
+x,y,z
+-x,y,1/2+z
+-x,y,-z
+x,y,1/2-z
++(1/2,1/2,0)
+
+40 C2cm
+x,y,z
+x,-y,-z
+x,-y,1/2+z
+x,y,1/2-z
++(1/2,1/2,0)
+
 41 Aba2
 x,y,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 -x,-y,z
 +(0,1/2,1/2)
 
+41 Cc2a
+x,y,z
+-x,1/2+y,1/2+z
+-x,y,-z
+x,1/2+y,1/2-z
++(1/2,1/2,0)
+
+41 C2ca
+x,y,z
+x,-y,-z
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
++(1/2,1/2,0)
+
 42 Fmm2
 x,y,z
 -x,y,z
@@ -317,11 +639,25 @@ x,-y,z
 
 43 Fdd2
 x,y,z
--x+1/4,y+1/4,z+1/4
-x+1/4,-y+1/4,z+1/4
+1/4-x,1/4+y,1/4+z
+1/4+x,1/4-y,1/4+z
 -x,-y,z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
+43 Fd2d
+x,y,z
+1/4-x,1/4+y,1/4+z
+-x,y,-z
+1/4+x,1/4+y,1/4-z
++(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
+
+43 F2dd
+x,y,z
+x,-y,-z
+1/4+x,1/4-y,1/4+z
+1/4+x,1/4+y,1/4-z
++(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
+
 44 Imm2
 x,y,z
 -x,y,z
@@ -331,18 +667,67 @@ x,-y,z
 
 45 Iba2
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 -x,-y,z
 +(1/2,1/2,1/2)
 
+45 Ib2a
+x,y,z
+-x,1/2+y,z
+-x,y,-z
+x,1/2+y,-z
++(1/2,1/2,1/2)
+
+45 I2aa
+x,y,z
+x,-y,-z
+1/2+x,-y,z
+1/2+x,y,-z
++(1/2,1/2,1/2)
+
 46 Ima2
 x,y,z
--x+1/2,y,z
-x+1/2,-y,z
+1/2-x,y,z
+1/2+x,-y,z
 -x,-y,z
 +(1/2,1/2,1/2)
 
+46 Ibm2
+x,y,z
+-x,1/2+y,z
+x,1/2-y,z
+-x,-y,z
++(1/2,1/2,1/2)
+
+46 Ib2m
+x,y,z
+-x,y,1/2+z
+-x,y,-z
+x,y,1/2-z
++(1/2,1/2,1/2)
+
+46 Im2a
+x,y,z
+1/2-x,y,z
+-x,y,-z
+1/2+x,y,-z
++(1/2,1/2,1/2)
+
+46 I2ma
+x,y,z
+x,-y,-z
+x,1/2-y,z
+x,1/2+y,-z
++(1/2,1/2,1/2)
+
+46 I2am
+x,y,z
+x,-y,-z
+x,-y,1/2+z
+x,y,1/2-z
++(1/2,1/2,1/2)
+
 47 Pmmm
 x,y,z
 -x,y,z
@@ -355,194 +740,746 @@ x,-y,-z
 
 48 Pnnn (222 origin)
 x,y,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
--x+1/2,-y+1/2,-z+1/2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+1/2-x,1/2-y,1/2-z
 x,-y,-z
 -x,y,-z
 -x,-y,z
 
 48 Pnnn (-1 origin)
 x,y,z
--x,y+1/2,z+1/2
-x+1/2,-y,z+1/2
-x+1/2,y+1/2,-z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,-z+1/2
--x+1/2,y,-z+1/2
--x+1/2,-y+1/2,z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,1/2-y,z
 
 49 Pccm
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 x,y,-z
 -x,-y,-z
-x,-y,-z+1/2
--x,y,-z+1/2
+x,-y,1/2-z
+-x,y,1/2-z
 -x,-y,z
 
+49 Pbmb
+x,y,z
+-x,1/2+y,z
+x,-y,z
+x,1/2+y,-z
+-x,-y,-z
+x,1/2-y,-z
+-x,y,-z
+-x,1/2-y,z
+
+49 Pmaa
+x,y,z
+-x,y,z
+1/2+x,-y,z
+1/2+x,y,-z
+-x,-y,-z
+x,-y,-z
+1/2-x,y,-z
+1/2-x,-y,z
+
 50 Pban
 x,y,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+1/2,y+1/2,-z
--x+1/2,-y+1/2,-z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+x,1/2+y,-z
+1/2-x,1/2-y,-z
+x,-y,-z
+-x,y,-z
+-x,-y,z
+
+50 Pban (alt.)
+x,y,z
+-x,1/2+y,z
+1/2+x,-y,z
+1/2+x,1/2+y,-z
+-x,-y,-z
+x,1/2-y,-z
+1/2-x,y,-z
+1/2-x,1/2-y,z
+
+50 Pcna
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,y,1/2-z
+1/2-x,-y,1/2-z
+x,-y,-z
+-x,y,-z
+-x,-y,z
+
+50 Pcna (alt.)
+x,y,z
+-x,y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,y,-z
+-x,-y,-z
+x,-y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,-y,z
+
+50 Pncb
+x,y,z
+-x,1/2+y,1/2+z
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
+-x,1/2-y,1/2-z
 x,-y,-z
 -x,y,-z
 -x,-y,z
 
+50 Pncb (alt.)
+x,y,z
+-x,1/2+y,1/2+z
+x,-y,1/2+z
+x,1/2+y,-z
+-x,-y,-z
+x,1/2-y,1/2-z
+-x,y,1/2-z
+-x,1/2-y,z
+
 51 Pmma
 x,y,z
--x+1/2,y,z
+1/2-x,y,z
+x,-y,z
+1/2+x,y,-z
+-x,-y,-z
+1/2+x,-y,-z
+-x,y,-z
+1/2-x,-y,z
+
+51 Pmmb
+x,y,z
+-x,y,z
+x,1/2-y,z
+x,1/2+y,-z
+-x,-y,-z
+x,-y,-z
+-x,1/2+y,-z
+-x,1/2-y,z
+
+51 Pmcm
+x,y,z
+-x,y,z
+x,-y,1/2+z
+x,y,1/2-z
+-x,-y,-z
+x,-y,-z
+-x,y,1/2-z
+-x,-y,1/2+z
+
+51 Pmam
+x,y,z
+1/2-x,y,z
+1/2+x,-y,z
+x,y,-z
+-x,-y,-z
+1/2+x,-y,-z
+1/2-x,y,-z
+-x,-y,z
+
+51 Pbmm
+x,y,z
+-x,1/2+y,z
+x,1/2-y,z
+x,y,-z
+-x,-y,-z
+x,1/2-y,-z
+-x,1/2+y,-z
+-x,-y,z
+
+51 Pcmm
+x,y,z
+-x,y,1/2+z
 x,-y,z
-x+1/2,y,-z
+x,y,1/2-z
 -x,-y,-z
-x+1/2,-y,-z
+x,-y,1/2-z
 -x,y,-z
--x+1/2,-y,z
+-x,-y,1/2+z
 
 52 Pnna
 x,y,z
--x,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y,-z
+-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,y,-z
+-x,-y,-z
+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-x,-y,z
+
+52 Pnnb
+x,y,z
+1/2-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+x,1/2+y,-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+-x,1/2-y,z
+
+52 Pncn
+x,y,z
+1/2-x,1/2+y,1/2+z
+x,-y,1/2+z
+1/2+x,1/2+y,-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+-x,y,1/2-z
+1/2-x,1/2-y,z
+
+52 Pnan
+x,y,z
+-x,1/2+y,1/2+z
+1/2+x,-y,z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+x,1/2-y,1/2-z
+1/2-x,y,-z
+1/2-x,1/2-y,1/2+z
+
+52 Pbnn
+x,y,z
+-x,1/2+y,z
+1/2+x,-y,1/2+z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+x,1/2-y,-z
+1/2-x,y,1/2-z
+1/2-x,1/2-y,1/2+z
+
+52 Pcnn
+x,y,z
+-x,y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,-z+1/2
--x+1/2,y+1/2,-z+1/2
--x+1/2,-y,z
+x,-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-x,1/2-y,z
 
 53 Pmna
 x,y,z
 -x,y,z
-x+1/2,-y,z+1/2
-x+1/2,y,-z+1/2
+1/2+x,-y,1/2+z
+1/2+x,y,1/2-z
+-x,-y,-z
+x,-y,-z
+1/2-x,y,1/2-z
+1/2-x,-y,1/2+z
+
+53 Pnmb
+x,y,z
+-x,1/2+y,1/2+z
+x,-y,z
+x,1/2+y,1/2-z
+-x,-y,-z
+x,1/2-y,1/2-z
+-x,y,-z
+-x,1/2-y,1/2+z
+
+53 Pncm
+x,y,z
+-x,1/2+y,1/2+z
+x,1/2-y,1/2+z
+x,y,-z
+-x,-y,-z
+x,1/2-y,1/2-z
+-x,1/2+y,1/2-z
+-x,-y,z
+
+53 Pman
+x,y,z
+-x,y,z
+1/2+x,1/2-y,z
+1/2+x,1/2+y,-z
 -x,-y,-z
 x,-y,-z
--x+1/2,y,-z+1/2
--x+1/2,-y,z+1/2
+1/2-x,1/2+y,-z
+1/2-x,1/2-y,z
+
+53 Pbmn
+x,y,z
+1/2-x,1/2+y,z
+x,-y,z
+1/2+x,1/2+y,-z
+-x,-y,-z
+1/2+x,1/2-y,-z
+-x,y,-z
+1/2-x,1/2-y,z
+
+53 Pcnm
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,-y,1/2+z
+x,y,-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+1/2-x,y,1/2-z
+-x,-y,z
 
 54 Pcca
 x,y,z
--x+1/2,y,z+1/2
-x,-y,z+1/2
-x+1/2,y,-z
+1/2-x,y,1/2+z
+x,-y,1/2+z
+1/2+x,y,-z
 -x,-y,-z
-x+1/2,-y,-z+1/2
--x,y,-z+1/2
--x+1/2,-y,z
+1/2+x,-y,1/2-z
+-x,y,1/2-z
+1/2-x,-y,z
+
+54 Pccb
+x,y,z
+-x,y,1/2+z
+x,1/2-y,1/2+z
+x,1/2+y,-z
+-x,-y,-z
+x,-y,1/2-z
+-x,1/2+y,1/2-z
+-x,1/2-y,z
+
+54 Pbcb
+x,y,z
+-x,1/2+y,z
+x,-y,1/2+z
+x,1/2+y,1/2-z
+-x,-y,-z
+x,1/2-y,-z
+-x,y,1/2-z
+-x,1/2-y,1/2+z
+
+54 Pbab
+x,y,z
+1/2-x,1/2+y,z
+1/2+x,-y,z
+x,1/2+y,-z
+-x,-y,-z
+1/2+x,1/2-y,-z
+1/2-x,y,-z
+-x,1/2-y,z
+
+54 Pbaa
+x,y,z
+-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+x,y,-z
+-x,-y,-z
+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-x,-y,z
+
+54 Pcaa
+x,y,z
+-x,y,1/2+z
+1/2+x,-y,z
+1/2+x,y,1/2-z
+-x,-y,-z
+x,-y,1/2-z
+1/2-x,y,-z
+1/2-x,-y,1/2+z
 
 55 Pbam
 x,y,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 x,y,-z
 -x,-y,-z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -x,-y,z
 
+55 Pcma
+x,y,z
+1/2-x,y,1/2+z
+x,-y,z
+1/2+x,y,1/2-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+-x,y,-z
+1/2-x,-y,1/2+z
+
+55 Pmcb
+x,y,z
+-x,y,z
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
+-x,-y,-z
+x,-y,-z
+-x,1/2+y,1/2-z
+-x,1/2-y,1/2+z
+
 56 Pccn
 x,y,z
--x+1/2,y,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
+1/2-x,y,1/2+z
+x,1/2-y,1/2+z
+1/2+x,1/2+y,-z
 -x,-y,-z
-x+1/2,-y,-z+1/2
--x,y+1/2,-z+1/2
--x+1/2,-y+1/2,z
+1/2+x,-y,1/2-z
+-x,1/2+y,1/2-z
+1/2-x,1/2-y,z
+
+56 Pbnb
+x,y,z
+1/2-x,1/2+y,z
+1/2+x,-y,1/2+z
+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,-z
+1/2-x,y,1/2-z
+-x,1/2-y,1/2+z
+
+56 Pnaa
+x,y,z
+-x,1/2+y,1/2+z
+1/2+x,1/2-y,z
+1/2+x,y,1/2-z
+-x,-y,-z
+x,1/2-y,1/2-z
+1/2-x,1/2+y,-z
+1/2-x,-y,1/2+z
 
 57 Pbcm
 x,y,z
--x,y+1/2,z
-x,-y+1/2,z+1/2
-x,y,-z+1/2
+-x,1/2+y,z
+x,1/2-y,1/2+z
+x,y,1/2-z
+-x,-y,-z
+x,1/2-y,-z
+-x,1/2+y,1/2-z
+-x,-y,1/2+z
+
+57 Pcam
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,-y,z
+x,y,1/2-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+1/2-x,y,-z
+-x,-y,1/2+z
+
+57 Pbma
+x,y,z
+1/2-x,1/2+y,z
+x,1/2-y,z
+1/2+x,y,-z
+-x,-y,-z
+1/2+x,1/2-y,-z
+-x,1/2+y,-z
+1/2-x,-y,z
+
+57 Pcmb
+x,y,z
+-x,y,1/2+z
+x,1/2-y,z
+x,1/2+y,1/2-z
+-x,-y,-z
+x,-y,1/2-z
+-x,1/2+y,-z
+-x,1/2-y,1/2+z
+
+57 Pmca
+x,y,z
+1/2-x,y,z
+x,-y,1/2+z
+1/2+x,y,1/2-z
+-x,-y,-z
+1/2+x,-y,-z
+-x,y,1/2-z
+1/2-x,-y,1/2+z
+
+57 Pmab
+x,y,z
+1/2-x,y,z
+1/2+x,1/2-y,z
+x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,-z
--x,y+1/2,-z+1/2
--x,-y,z+1/2
+1/2+x,-y,-z
+1/2-x,1/2+y,-z
+-x,1/2-y,z
 
 58 Pnnm
 x,y,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 x,y,-z
 -x,-y,-z
-x+1/2,-y+1/2,-z+1/2
--x+1/2,y+1/2,-z+1/2
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -x,-y,z
 
+58 Pnmn
+x,y,z
+1/2-x,1/2+y,1/2+z
+x,-y,z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+-x,y,-z
+1/2-x,1/2-y,1/2+z
+
+58 Pmnn
+x,y,z
+-x,y,z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+x,-y,-z
+1/2-x,1/2+y,1/2-z
+1/2-x,1/2-y,1/2+z
+
 59 Pmmn (mm2 origin)
 x,y,z
 -x,y,z
 x,-y,z
-x+1/2,y+1/2,-z
--x+1/2,-y+1/2,-z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
+1/2+x,1/2+y,-z
+1/2-x,1/2-y,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -x,-y,z
 
 59 Pmmn (-1 origin)
 x,y,z
--x+1/2,y,z
-x,-y+1/2,z
-x+1/2,y+1/2,-z
+1/2-x,y,z
+x,1/2-y,z
+1/2+x,1/2+y,-z
 -x,-y,-z
-x+1/2,-y,-z
+1/2+x,-y,-z
 -x,1/2+y,-z
--x+1/2,-y+1/2,z
+1/2-x,1/2-y,z
+
+59 Pmnm (m2m origin)
+x,y,z
+-x,y,z
+1/2+x,-y,1/2+z
+x,y,-z
+1/2-x,-y,1/2-z
+1/2+x,-y,1/2-z
+-x,y,-z
+1/2-x,-y,1/2+z
+
+59 Pmnm (-1 origin)
+x,y,z
+1/2-x,y,z
+1/2+x,-y,1/2+z
+x,y,1/2-z
+-x,-y,-z
+1/2+x,-y,-z
+1/2-x,y,1/2-z
+-x,-y,1/2+z
+
+59 Pnmm (2mm origin)
+x,y,z
+-x,1/2+y,1/2+z
+x,-y,z
+x,y,-z
+-x,1/2-y,1/2-z
+x,-y,-z
+-x,1/2+y,1/2-z
+-x,1/2-y,1/2+z
+
+59 Pnmm (-1 origin)
+x,y,z
+-x,1/2+y,1/2+z
+x,1/2-y,z
+x,y,1/2-z
+-x,-y,-z
+x,1/2-y,1/2-z
+-x,1/2+y,-z
+-x,-y,1/2+z
 
 60 Pbcn
 x,y,z
--x+1/2,y+1/2,z
-x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
+1/2-x,1/2+y,z
+x,-y,1/2+z
+1/2+x,1/2+y,1/2-z
 -x,-y,-z
-x+1/2,-y+1/2,-z
--x,y,-z+1/2
--x+1/2,-y+1/2,z+1/2
+1/2+x,1/2-y,-z
+-x,y,1/2-z
+1/2-x,1/2-y,1/2+z
+
+60 Pcan
+x,y,z
+-x,y,1/2+z
+1/2+x,1/2-y,z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+x,-y,1/2-z
+1/2-x,1/2+y,-z
+1/2-x,1/2-y,1/2+z
+
+60 Pbna
+x,y,z
+-x,1/2+y,z
+1/2+x,1/2-y,1/2+z
+1/2+x,y,1/2-z
+-x,-y,-z
+x,1/2-y,-z
+1/2-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
+
+60 Pcnb
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,1/2-y,1/2+z
+x,1/2+y,-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+1/2-x,1/2+y,1/2-z
+-x,1/2-y,z
+
+60 Pnca
+x,y,z
+1/2-x,1/2+y,1/2+z
+x,1/2-y,1/2+z
+1/2+x,y,-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+-x,1/2+y,1/2-z
+1/2-x,-y,z
+
+60 Pnab
+x,y,z
+1/2-x,1/2+y,1/2+z
+1/2+x,-y,z
+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,1/2+z
 
 61 Pbca
 x,y,z
--x+1/2,y+1/2,z
-x,-y+1/2,z+1/2
-x+1/2,y,-z+1/2
+1/2-x,1/2+y,z
+x,1/2-y,1/2+z
+1/2+x,y,1/2-z
 -x,-y,-z
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--x+1/2,-y,z+1/2
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
+
+61 Pcab
+x,y,z
+1/2-x,y,1/2+z
+1/2+x,1/2-y,z
+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+1/2-x,1/2+y,-z
+-x,1/2-y,1/2+z
 
 62 Pnma
 x,y,z
--x+1/2,y+1/2,z+1/2
-x,-y+1/2,z
-x+1/2,y,-z+1/2
+1/2-x,1/2+y,1/2+z
+x,1/2-y,z
+1/2+x,y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+-x,1/2+y,-z
+1/2-x,-y,1/2+z
+
+62 Pnam
+x,y,z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,z
+x,y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,-z
+-x,-y,1/2+z
+
+62 Pmcn
+x,y,z
+1/2-x,y,z
+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,-y,-z
+-x,1/2+y,1/2-z
+1/2-x,1/2-y,1/2+z
+
+62 Pcmn
+x,y,z
+1/2-x,y,1/2+z
+x,1/2-y,z
+1/2+x,1/2+y,1/2-z
+-x,-y,-z
+1/2+x,-y,1/2-z
+-x,1/2+y,-z
+1/2-x,1/2-y,1/2+z
+
+62 Pbnm
+x,y,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,1/2+z
+x,y,1/2-z
+-x,-y,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,1/2-z
+-x,-y,1/2+z
+
+62 Pnmb
+x,y,z
+1/2-x,y,z
+1/2+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
 -x,-y,-z
-x+1/2,-y+1/2,-z+1/2
--x,y+1/2,-z
--x+1/2,-y,z+1/2
+1/2+x,-y,-z
+1/2-x,1/2+y,1/2-z
+-x,1/2-y,1/2+z
 
 63 Cmcm
 x,y,z
 -x,y,z
-x,-y,z+1/2
-x,y,-z+1/2
+x,-y,1/2+z
+x,y,1/2-z
 -x,-y,-z
 x,-y,-z
--x,y,-z+1/2
--x,-y,z+1/2
+-x,y,1/2-z
+-x,-y,1/2+z
++(1/2,1/2,0)
+
+63 Ccmm
+x,y,z
+-x,y,1/2+z
+x,-y,z
+x,y,1/2-z
+-x,-y,-z
+x,-y,1/2-z
+-x,y,-z
+-x,-y,1/2+z
 +(1/2,1/2,0)
 
 64 Cmca
 x,y,z
 -x,y,z
-x,-y+1/2,z+1/2
-x,y+1/2,-z+1/2
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
 -x,-y,-z
 x,-y,-z
--x,y+1/2,-z+1/2
--x,-y+1/2,z+1/2
+-x,1/2+y,1/2-z
+-x,1/2-y,1/2+z
++(1/2,1/2,0)
+
+64 Ccma
+x,y,z
+-x,1/2+y,1/2+z
+x,-y,z
+x,1/2+y,1/2-z
+-x,-y,-z
+x,1/2-y,1/2-z
+-x,y,-z
+-x,1/2-y,1/2+z
 +(1/2,1/2,0)
 
 65 Cmmm
@@ -558,21 +1495,21 @@ x,-y,-z
 
 66 Cccm (2/m origin)
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 x,y,-z
 -x,-y,-z
-x,-y,-z+1/2
--x,y,-z+1/2
+x,-y,1/2-z
+-x,y,1/2-z
 -x,-y,z
 +(1/2,1/2,0)
 
 66 Cccm (222 origin)
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
-x,y,-z+1/2
--x,-y,-z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+x,y,1/2-z
+-x,-y,1/2-z
 x,-y,-z
 -x,y,-z
 -x,-y,z
@@ -581,31 +1518,31 @@ x,-y,-z
 67 Cmma
 x,y,z
 -x,y,z
-x,-y+1/2,z
-x,y+1/2,-z
+x,1/2-y,z
+x,1/2+y,-z
 -x,-y,-z
 x,-y,-z
--x,y+1/2,-z
--x,-y+1/2,z
+-x,1/2+y,-z
+-x,1/2-y,z
 +(1/2,1/2,0)
 
 67 Cmma (alt.)
 x,y,z
--x,y+1/2,z
+-x,1/2+y,z
 x,-y,z
-x,y+1/2,-z
+x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,-z
+x,1/2-y,-z
 -x,y,-z
--x,-y+1/2,z
+-x,1/2-y,z
 +(1/2,1/2,0)
 
 68 Ccca (222 origin)
 x,y,z
--x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x,y+1/2,-z+1/2
--x,-y+1/2,-z+1/2
+-x,1/2+y,1/2+z
+x,1/2-y,1/2+z
+x,1/2+y,1/2-z
+-x,1/2-y,1/2-z
 x,-y,-z
 -x,y,-z
 -x,-y,z
@@ -613,24 +1550,24 @@ x,-y,-z
 
 68 Ccca (-1 origin)
 x,y,z
--x,y+1/2,z+1/2
-x,-y,z+1/2
-x,y+1/2,-z
+-x,1/2+y,1/2+z
+x,-y,1/2+z
+x,1/2+y,-z
 -x,-y,-z
-x,-y+1/2,-z+1/2
--x,y,-z+1/2
--x,-y+1/2,z
+x,1/2-y,1/2-z
+-x,y,1/2-z
+-x,1/2-y,z
 +(1/2,1/2,0)
 
 68 Ccca (-1 origin, alt.)
 x,y,z
--x,y,z+1/2
-x,-y+1/2,z+1/2
-x,y+1/2,-z
+-x,y,1/2+z
+x,1/2-y,1/2+z
+x,1/2+y,-z
 -x,-y,-z
-x,-y,-z+1/2
--x,y+1/2,-z+1/2
--x,-y+1/2,z
+x,-y,1/2-z
+-x,1/2+y,1/2-z
+-x,1/2-y,z
 +(1/2,1/2,0)
 
 69 Fmmm
@@ -646,10 +1583,10 @@ x,-y,-z
 
 70 Fddd (222 origin)
 x,y,z
--x+1/4,y+1/4,z+1/4
-x+1/4,-y+1/4,z+1/4
-x+1/4,y+1/4,-z+1/4
--x+1/4,-y+1/4,-z+1/4
+1/4-x,1/4+y,1/4+z
+1/4+x,1/4-y,1/4+z
+1/4+x,1/4+y,1/4-z
+1/4-x,1/4-y,1/4-z
 x,-y,-z
 -x,y,-z
 -x,-y,z
@@ -657,13 +1594,13 @@ x,-y,-z
 
 70 Fddd (-1 origin)
 x,y,z
--x,y+1/4,z+1/4
-x+1/4,-y,z+1/4
-x+1/4,y+1/4,-z
+-x,1/4+y,1/4+z
+1/4+x,-y,1/4+z
+1/4+x,1/4+y,-z
 -x,-y,-z
-x,-y+1/4,-z+1/4
--x+1/4,y,-z+1/4
--x+1/4,-y+1/4,z
+x,1/4-y,1/4-z
+1/4-x,y,1/4-z
+1/4-x,1/4-y,z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 71 Immm
@@ -679,57 +1616,101 @@ x,-y,-z
 
 72 Ibam
 x,y,z
--x,y,z+1/2
-x,-y,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
 x,y,-z
 -x,-y,-z
-x,-y,-z+1/2
--x,y,-z+1/2
+x,-y,1/2-z
+-x,y,1/2-z
 -x,-y,z
 +(1/2,1/2,1/2)
 
+72 Ibma
+x,y,z
+-x,1/2+y,z
+x,-y,z
+x,1/2+y,-z
+-x,-y,-z
+x,1/2-y,-z
+-x,y,-z
+-x,1/2-y,z
++(1/2,1/2,1/2)
+
+72 Imaa
+x,y,z
+-x,y,z
+1/2+x,-y,z
+1/2+x,y,-z
+-x,-y,-z
+x,-y,-z
+1/2-x,y,-z
+1/2-x,-y,z
++(1/2,1/2,1/2)
+
 73 Ibca
 x,y,z
--x,y,z+1/2
-x+1/2,-y,z
-x,y+1/2,-z
+-x,y,1/2+z
+1/2+x,-y,z
+x,1/2+y,-z
 -x,-y,-z
-x,-y,-z+1/2
--x+1/2,y,-z
--x,-y+1/2,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 +(1/2,1/2,1/2)
 
 73 Ibca (alt.)
 x,y,z
--x,y+1/2,z
-x,-y,z+1/2
-x+1/2,y,-z
+-x,1/2+y,z
+x,-y,1/2+z
+1/2+x,y,-z
 -x,-y,-z
-x,-y+1/2,-z
--x,y,-z+1/2
--x+1/2,-y,z
+x,1/2-y,-z
+-x,y,1/2-z
+1/2-x,-y,z
 +(1/2,1/2,1/2)
 
 74 Imma
 x,y,z
 -x,y,z
-x,-y+1/2,z
-x,y+1/2,-z
+x,1/2-y,z
+x,1/2+y,-z
 -x,-y,-z
 x,-y,-z
--x,y+1/2,-z
--x,-y+1/2,z
+-x,1/2+y,-z
+-x,1/2-y,z
 +(1/2,1/2,1/2)
 
 74 Imma (alt.)
 x,y,z
--x+1/2,y,z
+1/2-x,y,z
 x,-y,z
-x+1/2,y,-z
+1/2+x,y,-z
 -x,-y,-z
-x+1/2,-y,-z
+1/2+x,-y,-z
 -x,y,-z
--x+1/2,-y,z
+1/2-x,-y,z
++(1/2,1/2,1/2)
+
+74 Imam
+x,y,z
+1/2-x,y,z
+1/2+x,-y,z
+x,y,-z
+-x,-y,-z
+1/2+x,-y,-z
+1/2-x,y,-z
+-x,-y,z
++(1/2,1/2,1/2)
+
+74 Imam (alt.)
+x,y,z
+-x,y,z
+x,-y,1/2+z
+x,y,1/2-z
+-x,-y,-z
+x,-y,-z
+-x,y,1/2-z
+-x,-y,1/2+z
 +(1/2,1/2,1/2)
 
 [Tetragonal]
@@ -739,23 +1720,23 @@ x,y,z
 -y,x,z
 y,-x,z
 
-76 P41
+76 P4(1)
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
 
-77 P42
+77 P4(2)
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
 
-78 P43
+78 P4(3)
 x,y,z
--x,-y,z+1/2
--y,x,z+3/4
-y,-x,z+1/4
+-x,-y,1/2+z
+-y,x,3/4+z
+y,-x,1/4+z
 
 79 I4
 x,y,z
@@ -764,27 +1745,27 @@ x,y,z
 y,-x,z
 +(1/2,1/2,1/2)
 
-80 I41 (2 origin)
+80 I4(1) (2 origin)
 x,y,z
 -x,-y,z
--y,x+1/2,z+1/4
-y,-x+1/2,z+1/4
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
 +(1/2,1/2,1/2)
 
-80 I41 (41 origin)
+80 I4(1) (4(1) origin)
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
 +(1/2,1/2,1/2)
 
-81 P4-
+81 P-4
 x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
 
-82 I4-
+82 I-4
 x,y,z
 -x,-y,z
 y,-x,-z
@@ -801,95 +1782,95 @@ x,y,-z
 y,-x,-z
 -y,x,-z
 
-84 P42/m
+84 P4(2)/m
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
 -x,-y,-z
 x,y,-z
-y,-x,-z+1/2
--y,x,-z+1/2
+y,-x,1/2-z
+-y,x,1/2-z
 
 85 P4/n (-4 origin)
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z
-y+1/2,-x+1/2,z
--x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
 y,-x,-z
 -y,x,-z
 
 85 P4/n (-1 origin)
 x,y,z
--x+1/2,-y+1/2,z
--y+1/2,x,z
-y,-x+1/2,z
+1/2-x,1/2-y,z
+1/2-y,x,z
+y,1/2-x,z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y+1/2,-x,-z
--y,x+1/2,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,-z
+-y,1/2+x,-z
 
 85 P4/n (-1 origin, alt.)
 x,y,z
--x+1/2,-y+1/2,z
--y,x+1/2,z
-y+1/2,-x,z
+1/2-x,1/2-y,z
+-y,1/2+x,z
+1/2+y,-x,z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y,-x+1/2,-z
--y+1/2,x,-z
+1/2+x,1/2+y,-z
+y,1/2-x,-z
+1/2-y,x,-z
 
 85 P4/n (4/n origin)
 x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
--y+1/2,x+1/2,-z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
 
-86 P42/n (-4 origin)
+86 P4(2)/n (-4 origin)
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
--x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
 y,-x,-z
 -y,x,-z
 
-86 P42/n (-1 origin)
+86 P4(2)/n (-1 origin)
 x,y,z
--x+1/2,-y+1/2,z
--y,x+1/2,z+1/2
-y+1/2,-x,z+1/2
+1/2-x,1/2-y,z
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y,-x+1/2,-z+1/2
--y+1/2,x,-z+1/2
+1/2+x,1/2+y,-z
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
 
-86 P42/n (-1 origin, alt.)
+86 P4(2)/n (-1 origin, alt.)
 x,y,z
--x+1/2,-y+1/2,z
--y+1/2,x,z+1/2
-y,-x+1/2,z+1/2
+1/2-x,1/2-y,z
+1/2-y,x,1/2+z
+y,1/2-x,1/2+z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y+1/2,-x,-z+1/2
--y,x+1/2,-z+1/2
+1/2+x,1/2+y,-z
+1/2+y,-x,1/2-z
+-y,1/2+x,1/2-z
 
-86 P42/n (42/n origin)
+86 P4(2)/n (4(2)/n origin)
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
--x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z+1/2
--y+1/2,x+1/2,-z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
 
 87 I4/m
 x,y,z
@@ -902,48 +1883,48 @@ y,-x,-z
 -y,x,-z
 +(1/2,1/2,1/2)
 
-88 I41/a (-4 origin)
+88 I4(1)/a (-4 origin)
 x,y,z
 -x,-y,z
--y,x+1/2,z+1/4
-y,-x+1/2,z+1/4
--x,-y+1/2,-z+1/4
-x,y+1/2,-z+1/4
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
+-x,1/2-y,1/4-z
+x,1/2+y,1/4-z
 y,-x,-z
 -y,x,-z
 +(1/2,1/2,1/2)
 
-88 I41/a (-1 origin)
+88 I4(1)/a (-1 origin)
 x,y,z
--x,-y+1/2,z
--y+1/4,x+3/4,z+3/4
-y+1/4,-x+1/4,z+1/4
+-x,1/2-y,z
+1/4-y,3/4+x,3/4+z
+1/4+y,1/4-x,1/4+z
 -x,-y,-z
-x,y+1/2,-z
-y+1/4,-x+3/4,-z+3/4
--y+1/4,x+1/4,-z+1/4
+x,1/2+y,-z
+1/4+y,3/4-x,3/4-z
+1/4-y,1/4+x,1/4-z
 +(1/2,1/2,1/2)
 
-88 I41/a (41/a origin)
+88 I4(1)/a (4(1)/a origin)
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
--x,-y+1/2,-z
-x+1/2,y,-z
-y+1/2,-x,-z+1/4
--y,x+1/2,-z+1/4
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
+-x,1/2-y,-z
+1/2+x,y,-z
+1/2+y,-x,1/4-z
+-y,1/2+x,1/4-z
 +(1/2,1/2,1/2)
 
-88 I41/a (41/b origin)
+88 I4(1)/a (4(1)/b origin)
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
--x+1/2,-y,-z
-x,y+1/2,-z
-y,-x+1/2,-z+1/4
--y+1/2,x,-z+1/4
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
+1/2-x,-y,-z
+x,1/2+y,-z
+y,1/2-x,1/4-z
+1/2-y,x,1/4-z
 +(1/2,1/2,1/2)
 
 89 P422
@@ -956,135 +1937,135 @@ x,-y,-z
 -y,-x,-z
 y,x,-z
 
-90 P4212 (222 origin)
+90 P42(1)2 (222 origin)
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z
-y+1/2,-x+1/2,z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -y,-x,-z
 y,x,-z
 
-90 P4212 (42121 origin)
+90 P42(1)2 (42(1)2(1) origin)
 x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
--y+1/2,-x+1/2,-z
-y+1/2,x+1/2,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
-91 P4122
+91 P4(1)22
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
-x,-y,-z+1/2
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
+x,-y,1/2-z
 -x,y,-z
--y,-x,-z+1/4
-y,x,-z+3/4
+-y,-x,1/4-z
+y,x,3/4-z
 
-92 P41212 (origin 2112)
+92 P4(1)2(1)2 (origin 2(1)12)
 x,y,z
--x,-y,z+1/2
--y+1/2,x+1/2,z+1/4
-y+1/2,-x+1/2,z+3/4
-x+1/2,-y+1/2,-z+3/4
--x+1/2,y+1/2,-z+1/4
--y,-x,-z+1/2
+-x,-y,1/2+z
+1/2-y,1/2+x,1/4+z
+1/2+y,1/2-x,3/4+z
+1/2+x,1/2-y,3/4-z
+1/2-x,1/2+y,1/4-z
+-y,-x,1/2-z
 y,x,-z
 
-92 P41212 (origin 41212)
+92 P4(1)2(1)2 (origin 4(1)12(1))
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
-x+1/2,-y+1/2,-z+3/4
--x+1/2,y+1/2,-z+1/4
--y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
+1/2+x,1/2-y,3/4-z
+1/2-x,1/2+y,1/4-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,-z
 
-92 P41212 (origin as P212121)
+92 P4(1)2(1)2 (origin as P2(1)2(1)2(1))
 x,y,z
--x+1/2,-y,z+1/2
--y+1/4,x+3/4,z+1/4
-y+1/4,-x+1/4,z+3/4
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--y+3/4,-x+3/4,-z+3/4
-y+3/4,x+1/4,-z+1/4
+1/2-x,-y,1/2+z
+1/4-y,3/4+x,1/4+z
+1/4+y,1/4-x,3/4+z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+3/4-y,3/4-x,3/4-z
+3/4+y,1/4+x,1/4-z
 
-93 P4222
+93 P4(2)22
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
 x,-y,-z
 -x,y,-z
--y,-x,-z+1/2
-y,x,-z+1/2
+-y,-x,1/2-z
+y,x,1/2-z
 
-94 P42212 (222 origin)
+94 P4(2)2(1)2 (222 origin)
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
--x+1/2,y+1/2,-z+1/2
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -y,-x,-z
 y,x,-z
 
-94 P42212 (422121 origin)
+94 P4(2)2(1)2 (4(2)2(1)2(1) origin)
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
-x+1/2,-y+1/2,-z+1/2
--x+1/2,y+1/2,-z+1/2
--y+1/2,-x+1/2,-z
-y+1/2,x+1/2,-z
+-y,x,1/2+z
+y,-x,1/2+z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
-95 P4322
+95 P4(3)22
 x,y,z
--x,-y,z+1/2
--y,x,z+3/4
-y,-x,z+1/4
-x,-y,-z+1/2
+-x,-y,1/2+z
+-y,x,3/4+z
+y,-x,1/4+z
+x,-y,1/2-z
 -x,y,-z
--y,-x,-z+3/4
-y,x,-z+1/4
+-y,-x,3/4-z
+y,x,1/4-z
 
-96 P43212 (2112 origin)
+96 P4(3)2(1)2 (2(1)12 origin)
 x,y,z
--x,-y,z+1/2
--y+1/2,x+1/2,z+3/4
-y+1/2,-x+1/2,z+1/4
-x+1/2,-y+1/2,-z+1/4
--x+1/2,y+1/2,-z+3/4
--y,-x,-z+1/2
+-x,-y,1/2+z
+1/2-y,1/2+x,3/4+z
+1/2+y,1/2-x,1/4+z
+1/2+x,1/2-y,1/4-z
+1/2-x,1/2+y,3/4-z
+-y,-x,1/2-z
 y,x,-z
 
-96 P43212 (43121 origin)
+96 P4(3)2(1)2 (4(3)12(1) origin)
 x,y,z
--x,-y,z+1/2
--y,x,z+3/4
-y,-x,z+1/4
-x+1/2,-y+1/2,-z+1/4
--x+1/2,y+1/2,-z+3/4
--y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z
+-x,-y,1/2+z
+-y,x,3/4+z
+y,-x,1/4+z
+1/2+x,1/2-y,1/4-z
+1/2-x,1/2+y,3/4-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,-z
 
-96 P43212 (origin as P212121)
+96 P4(3)2(1)2 (origin as P2(1)2(1)2(1))
 x,y,z
--x+1/2,-y,z+1/2
--y+1/4,x+3/4,z+3/4
-y+1/4,-x+1/4,z+1/4,
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--y+3/4,-x+3/4,-z+1/4
-y+3/4,x+1/4,-z+3/4
+1/2-x,-y,1/2+z
+1/4-y,3/4+x,3/4+z
+1/4+y,1/4-x,1/4+z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+3/4-y,3/4-x,1/4-z
+3/4+y,1/4+x,3/4-z
 
 97 I422
 x,y,z
@@ -1097,26 +2078,26 @@ x,-y,-z
 y,x,-z
 +(1/2,1/2,1/2)
 
-98 I4122 (222 origin)
+98 I4(1)22 (222 origin)
 x,y,z
 -x,-y,z
--y,x+1/2,z+1/4
-y,-x+1/2,z+1/4
-x,-y+1/2,-z+1/4
--x,y+1/2,-z+1/4
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
+x,1/2-y,1/4-z
+-x,1/2+y,1/4-z
 -y,-x,-z
 y,x,-z
 +(1/2,1/2,1/2)
 
-98 I4122 (4112 origin)
+98 I4(1)22 (4(1)12 origin)
 x,y,z
--x,-y,z+1/2
--y,x,z+1/4
-y,-x,z+3/4
-x,-y,-z+1/2
+-x,-y,1/2+z
+-y,x,1/4+z
+y,-x,3/4+z
+x,-y,1/2-z
 -x,y,-z
--y,-x,-z+1/4
-y,x,-z+3/4
+-y,-x,1/4-z
+y,x,3/4-z
 +(1/2,1/2,1/2)
 
 99 P4mm
@@ -1134,28 +2115,28 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-y+1/2,x+1/2,z
--y+1/2,-x+1/2,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
 
-101 P42cm
+101 P4(2)cm
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
--x,y,z+1/2
-x,-y,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
+-x,y,1/2+z
+x,-y,1/2+z
 y,x,z
 -y,-x,z
 
-102 P42nm
+102 P4(2)nm
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 y,x,z
 -y,-x,z
 
@@ -1164,40 +2145,40 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x,y,z+1/2
-x,-y,z+1/2
-y,x,z+1/2
--y,-x,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
 
 104 P4nc
 x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
--y+1/2,-x+1/2,z+1/2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
-105 P42mc
+105 P4(2)mc
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
 -x,y,z
 x,-y,z
-y,x,z+1/2
--y,-x,z+1/2
+y,x,1/2+z
+-y,-x,1/2+z
 
-106 P42bc
+106 P4(2)bc
 x,y,z
 -x,-y,z
--y,x,z+1/2
-y,-x,z+1/2
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-y+1/2,x+1/2,z+1/2
--y+1/2,-x+1/2,z+1/2
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
 107 I4mm
 x,y,z
@@ -1215,32 +2196,32 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x,y,z+1/2
-x,-y,z+1/2
-y,x,z+1/2
--y,-x,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
 +(1/2,1/2,1/2)
 
-109 I41md
+109 I4(1)md
 x,y,z
 -x,-y,z
--y,x+1/2,z+1/4
-y,-x+1/2,z+1/4
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
 -x,y,z
 x,-y,z
-y,x+1/2,z+1/4
--y,-x+1/2,z+1/4
+y,1/2+x,1/4+z
+-y,1/2-x,1/4+z
 +(1/2,1/2,1/2)
 
-110 I41cd
+110 I4(1)cd
 x,y,z
 -x,-y,z
--y,x+1/2,z+1/4
-y,-x+1/2,z+1/4
--x,y,z+1/2
-x,-y,z+1/2
-y+1/2,x,z+1/4
--y+1/2,-x,z+1/4
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,x,1/4+z
+1/2-y,-x,1/4+z
 +(1/2,1/2,1/2)
 
 111 P-42m
@@ -1258,30 +2239,30 @@ x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
-x,-y,-z+1/2
--x,y,-z+1/2
-y,x,z+1/2
--y,-x,z+1/2
+x,-y,1/2-z
+-x,y,1/2-z
+y,x,1/2+z
+-y,-x,1/2+z
 
-113 P-421m
+113 P-42(1)m
 x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
-x+1/2,-y+1/2,-z
--x+1/2,y+1/2,-z
-y+1/2,x+1/2,z
--y+1/2,-x+1/2,z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
 
-114 P-421c
+114 P-42(1)c
 x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
-x+1/2,-y+1/2,-z+1/2
--x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,z+1/2
--y+1/2,-x+1/2,z+1/2
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
 115 P-4m2
 x,y,z
@@ -1298,28 +2279,28 @@ x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
--x,y,z+1/2
-x,-y,z+1/2
--y,-x,-z+1/2
-y,x,-z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+-y,-x,1/2-z
+y,x,1/2-z
 
 117 P-4b2 (-4 origin)
 x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
--y+1/2,-x+1/2,-z
-y+1/2,x+1/2,-z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 117 P-4b2 (222 origin)
 x,y,z
 -x,-y,z
-y+1/2,-x+1/2,-z
--y+1/2,x+1/2,-z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 -y,-x,-z
 y,x,-z
 
@@ -1328,18 +2309,18 @@ x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
--y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 118 P-4n2 (222 origin)
 x,y,z
 -x,-y,z
-y+1/2,-x+1/2,-z+1/2
--y+1/2,x+1/2,-z+1/2
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 -y,-x,-z
 y,x,-z
 
@@ -1359,10 +2340,10 @@ x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
--x,y,z+1/2
-x,-y,z+1/2
--y,-x,-z+1/2
-y,x,-z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+-y,-x,1/2-z
+y,x,1/2-z
 +(1/2,1/2,1/2)
 
 121 I-42m
@@ -1381,10 +2362,10 @@ x,y,z
 -x,-y,z
 y,-x,-z
 -y,x,-z
-x,-y+1/2,-z+1/4
--x,y+1/2,-z+1/4
-y,x+1/2,z+1/4
--y,-x+1/2,z+1/4
+x,1/2-y,1/4-z
+-x,1/2+y,1/4-z
+y,1/2+x,1/4+z
+-y,1/2-x,1/4+z
 +(1/2,1/2,1/2)
 
 123 P4/mmm
@@ -1410,32 +2391,32 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x,y,z+1/2
-x,-y,z+1/2
-y,x,z+1/2
--y,-x,z+1/2
+-x,y,1/2+z
+x,-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
 -x,-y,-z
 x,y,-z
 y,-x,-z
 -y,x,-z
-x,-y,-z+1/2
--x,y,-z+1/2
--y,-x,-z+1/2
-y,x,-z+1/2
+x,-y,1/2-z
+-x,y,1/2-z
+-y,-x,1/2-z
+y,x,1/2-z
 
 124 P4/mcc (422 origin)
 x,y,z
 -x,-y,z
 -y,x,z
-y,-x,z,
--x,y,z+1/2
-x,-y,z+1/2
-y,x,z+1/2
--y,-x,z+1/2
--x,-y,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
--y,x,-z+1/2
+y,-x,z
+-x,y,1/2+z
+x,-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
+-x,-y,1/2-z
+x,y,1/2-z
+y,-x,1/2-z
+-y,x,1/2-z
 x,-y,-z
 -x,y,-z
 -y,-x,-z
@@ -1446,14 +2427,14 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-y+1/2,x+1/2,z
--y+1/2,-x+1/2,z
--x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-y+1/2,-x+1/2,-z
--y+1/2,x+1/2,-z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
 x,-y,-z
 -x,y,-z
 -y,-x,-z
@@ -1461,71 +2442,71 @@ y,x,-z
 
 125 P4/nbm (2/m origin)
 x,y,z
--x+1/2,-y+1/2,z
--y+1/2,x,z
-y,-x+1/2,z
--x,y+1/2,z
-x+1/2,-y,z
-y+1/2,x+1/2,z
+1/2-x,1/2-y,z
+1/2-y,x,z
+y,1/2-x,z
+-x,1/2+y,z
+1/2+x,-y,z
+1/2+y,1/2+x,z
 -y,-x,z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y+1/2,-x,-z
--y,x+1/2,-z
-x,-y+1/2,-z
--x+1/2,y,-z
--y+1/2,-x+1/2,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,-z
+-y,1/2+x,-z
+x,1/2-y,-z
+1/2-x,y,-z
+1/2-y,1/2-x,-z
 y,x,-z
 
 125 P4/nbm (2/m origin, alt.)
 x,y,z
--x+1/2,-y+1/2,z
--y,x+1/2,z
-y+1/2,-x,z
--x,y+1/2,z
-x+1/2,-y,z
+1/2-x,1/2-y,z
+-y,1/2+x,z
+1/2+y,-x,z
+-x,1/2+y,z
+1/2+x,-y,z
 y,x,z
--y+1/2,-x+1/2,z
+1/2-y,1/2-x,z
 -x,-y,-z
-x+1/2,y+1/2,-z
-y,-x+1/2,-z
--y+1/2,x,-z
-x,-y+1/2,-z
--x+1/2,y,-z
+1/2+x,1/2+y,-z
+y,1/2-x,-z
+1/2-y,x,-z
+x,1/2-y,-z
+1/2-x,y,-z
 -y,-x,-z
-y+1/2,x+1/2,-z
+1/2+y,1/2+x,-z
 
 125 P4/nbm (-42m origin)
 x,y,z
 -x,-y,z
--y+1/2,x+1/2,z
-y+1/2,-x+1/2,z
--x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 y,x,z
 -y,-x,z
--x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
 y,-x,-z
 -y,x,-z
 x,-y,-z
 -x,y,-z
--y+1/2,-x+1/2,-z
-y+1/2,x+1/2,-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 126 P4/nnc (422 origin)
 x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
--y+1/2,-x+1/2,z+2
--x+2,-y+2,-z+2
-x+2,y+2,-z+2
-y+2,-x+2,-z+2
--y+2,x+2,-z+2
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
 x,-y,-z
 -x,y,-z
 -y,-x,-z
@@ -1533,91 +2514,91 @@ y,x,-z
 
 126 P4/nnc (-1 origin)
 x,y,z
-2-x,2-y,z
-2-y,x,z
-y,2-x,z
--x,2+y,2+z
-2+x,-y,2+z
-2+y,2+x,2+z
--y,-x,2+z
--x,-y,-z
-2+x,2+y,-z
-2+y,-x,-z
--y,2+x,-z
-x,2-y,2-z
-2-x,y,2-z
-2-y,2-x,2-z
-y,x,2-z
+1/2-x,1/2-y,z
+1/2-y,x,z
+y,1/2-x,z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+y,1/2+x,1/2+z
+-y,-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,-z
+-y,1/2+x,-z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-y,1/2-x,1/2-z
+y,x,1/2-z
 
 126 P4/nnc (-1 origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2+x,z
-2+y,-x,z
--x,2+y,2+z
-2+x,-y,2+z
-y,x,2+z
-2-y,2-x,2+z
--x,-y,-z
-2+x,2+y,-z
-y,2-x,-z
-2-y,x,-z
-x,2-y,2-z
-2-x,y,2-z
--y,-x,2-z
-2+y,2+x,2-z
+1/2-x,1/2-y,z
+-y,1/2+x,z
+1/2+y,-x,z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+y,x,1/2+z
+1/2-y,1/2-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+y,1/2-x,-z
+1/2-y,x,-z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+-y,-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 126 P4/nnc (-4 origin)
 x,y,z
 -x,-y,z
-2-y,2+x,z
-2+y,2-x,z
-2-x,2+y,2+z
-2+x,2-y,2+z
-y,x,2+z
--y,-x,2+z
-2-x,2-y,-z
-2+x,2+y,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
 y,-x,-z
 -y,x,-z
-x,-y,2-z
--x,y,2-z
-2-y,2-x,2-z
-2+y,2+x,2-z
+x,-y,1/2-z
+-x,y,1/2-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 127 P4/mbm (4/m origin)
 x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
-2-x,2+y,z
-2+x,2-y,z
-2+y,2+x,z
-2-y,2-x,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
 -x,-y,-z
 x,y,-z
 y,-x,-z
 -y,x,-z
-2+x,2-y,-z
-2-x,2+y,-z
-2-y,2-x,-z
-2+y,2+x,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 127 P4/mbm (mmm origin)
 x,y,z
 -x,-y,z
-2-y,2+x,z
-2+y,2-x,z
-2-x,2+y,z
-2+x,2-y,z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
 y,x,z
 -y,-x,z
 -x,-y,-z
 x,y,-z
-2+y,2-x,-z
-2-y,2+x,-z
-2+x,2-y,-z
-2-x,2+y,-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -y,-x,-z
 y,x,-z
 
@@ -1626,89 +2607,89 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
-2-x,2+y,2+z
-2+x,2-y,2+z
-2+y,2+x,2+z
-2-y,2-x,2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 -x,-y,-z
 x,y,-z
 y,-x,-z
 -y,x,-z
-2+x,2-y,2-z
-2-x,2+y,2-z
-2-y,2-x,2-z
-2+y,2+x,2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 128 P4/mnc (222 origin)
 x,y,z
 -x,-y,z
-2-y,2+x,z
-2+y,2-x,z
-2-x,2+y,2+z
-2+x,2-y,2+z
-y,x,2+z
--y,-x,2+z
--x,-y,2-z
-x,y,2-z
-2+y,2-x,2-z
-2-y,2+x,2-z
-2+x,2-y,-z
-2-x,2+y,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
+-x,-y,1/2-z
+x,y,1/2-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -y,-x,-z
 y,x,-z
 
 129 P4/nmm (-4m2 origin)
 x,y,z
 -x,-y,z
-2-y,2+x,z
-2+y,2-x,z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
 -x,y,z
 x,-y,z
-2+y,2+x,z
-2-y,2-x,z
-2-x,2-y,-z
-2+x,2+y,-z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
 y,-x,-z
 -y,x,-z
-2+x,2-y,-z
-2-x,2+y,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -y,-x,-z
 y,x,-z
 
 129 P4/nmm (2/m origin)
 x,y,z
-2-x,2-y,z
-2-y,x,z
-y,2-x,z
-2-x,y,z
-x,2-y,z
+1/2-x,1/2-y,z
+1/2-y,x,z
+y,1/2-x,z
+1/2-x,y,z
+x,1/2-y,z
 y,x,z
-2-y,2-x,z
+1/2-y,1/2-x,z
 -x,-y,-z
-2+x,2+y,-z
-2+y,-x,-z
--y,2+x,-z
-2+x,-y,-z
--x,2+y,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,-z
+-y,1/2+x,-z
+1/2+x,-y,-z
+-x,1/2+y,-z
 -y,-x,-z
-2+y,2+x,-z
+1/2+y,1/2+x,-z
 
 129 P4/nmm (2/m origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2+x,z
-2+y,-x,z
-2-x,y,z
-x,2-y,z
-2+y,2+x,z
+1/2-x,1/2-y,z
+-y,1/2+x,z
+1/2+y,-x,z
+1/2-x,y,z
+x,1/2-y,z
+1/2+y,1/2+x,z
 -y,-x,z
 -x,-y,-z
-2+x,2+y,-z
-y,2-x,-z
-2-y,x,-z
-2+x,-y,-z
--x,2+y,-z
-2-y,2-x,-z
+1/2+x,1/2+y,-z
+y,1/2-x,-z
+1/2-y,x,-z
+1/2+x,-y,-z
+-x,1/2+y,-z
+1/2-y,1/2-x,-z
 y,x,-z
 
 129 P4/nmm (4mm origin)
@@ -1720,500 +2701,500 @@ y,-x,z
 x,-y,z
 y,x,z
 -y,-x,z
-2-x,2-y,-z
-2+x,2+y,-z
-2+y,2-x,-z
-2-y,2x,-z
-2x,2-y,-z
-2-x,2y,-z
-2-y,2-x,-z
-2y,2x,-z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 130 P4/ncc (-4 origin)
 x,y,z
 -x,-y,z
-2-y,2x,z
-2y,2-x,z
--x,y,2z
-x,-y,2z
-2y,2x,2z
-2-y,2-x,2z
-2-x,2-y,-z
-2+x,2+y,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
 y,-x,-z
 -y,x,-z
-2x,2-y,2-z
-2-x,2y,2-z
--y,-x,2-z
-y,x,2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+-y,-x,1/2-z
+y,x,1/2-z
 
 130 P4/ncc (-1 origin)
 x,y,z
-2-x,2-y,z
-2-y,x,z
-y,2-x,z
-2-x,y,2z
-x,2-y,2z
-y,x,2z
-2-y,2-x,2z
--x,-y,-z
-2x,2y,-z
-2y,-x,-z
--y,2x,-z
-2x,-y,2-z
--x,2y,2-z
--y,-x,2-z
-2y,2x,2-z
+1/2-x,1/2-y,z
+1/2-y,x,z
+y,1/2-x,z
+1/2-x,y,1/2+z
+x,1/2-y,1/2+z
+y,x,1/2+z
+1/2-y,1/2-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,-z
+-y,1/2+x,-z
+1/2+x,-y,1/2-z
+-x,1/2+y,1/2-z
+-y,-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 130 P4/ncc (-1 origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2x,z
-2y,-x,z
-2-x,y,2z
-x,2-y,2z
-2y,2x,2z
--y,-x,2z
--x,-y,-z
-2x,2y,-z
-y,2-x,-z
-2-y,x,-z
-2x,-y,2-z
--x,2y,2-z
-2-y,2-x,2-z
-y,x,2-z
+1/2-x,1/2-y,z
+-y,1/2+x,z
+1/2+y,-x,z
+1/2-x,y,1/2+z
+x,1/2-y,1/2+z
+1/2+y,1/2+x,1/2+z
+-y,-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+y,1/2-x,-z
+1/2-y,x,-z
+1/2+x,-y,1/2-z
+-x,1/2+y,1/2-z
+1/2-y,1/2-x,1/2-z
+y,x,1/2-z
 
 130 P4/ncc (222 origin)
 x,y,z
 -x,-y,z
-2-y,2x,z
-2y,2-x,z
--x,y,2z
-x,-y,2z
-2y,2x,2z
-2-y,2-x,2z
-2-x,2-y,2-z
-2x,2y,2-z
-y,-x,2-z
--y,x,2-z
-2x,2-y,-z
-2-x,2y,-z
+1/2-y,1/2+x,z
+1/2+y,1/2-x,z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
+y,-x,1/2-z
+-y,x,1/2-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
 -y,-x,-z
 y,x,-z
 
-131 P42/mmc
+131 P4(2)/mmc
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
+-y,x,1/2+z
+y,-x,1/2+z
 -x,y,z
 x,-y,z
-y,x,2z
--y,-x,2z
+y,x,1/2+z
+-y,-x,1/2+z
 -x,-y,-z
 x,y,-z
-y,-x,2-z
--y,x,2-z
+y,-x,1/2-z
+-y,x,1/2-z
 x,-y,-z
 -x,y,-z
--y,-x,2-z
-y,x,2-z
+-y,-x,1/2-z
+y,x,1/2-z
 
-132 P42/mcm
+132 P4(2)/mcm
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
--x,y,2z
-x,-y,2z
+-y,x,1/2+z
+y,-x,1/2+z
+-x,y,1/2+z
+x,-y,1/2+z
 y,x,z
 -y,-x,z
 -x,-y,-z
 x,y,-z
-y,-x,2-z
--y,x,2-z
-x,-y,2-z
--x,y,2-z
+y,-x,1/2-z
+-y,x,1/2-z
+x,-y,1/2-z
+-x,y,1/2-z
 -y,-x,-z
 y,x,-z
 
-133 P42/nbc (-4 origin)
+133 P4(2)/nbc (-4 origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
-2-x,2y,z
-2x,2-y,z
-y,x,2z
--y,-x,2z
-2-x,2-y,2-z
-2x,2y,2-z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+y,x,1/2+z
+-y,-x,1/2+z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
 y,-x,-z
 -y,x,-z
-x,-y,2-z
--x,y,2-z
-2-y,2-x,-z
-2y,2x,-z
-
-133 P42/nbc (-1 origin)
-x,y,z
-2-x,2-y,z
-2-y,x,2z
-y,2-x,2z
--x,2y,z
-2x,-y,z
-2y,2x,2z
--y,-x,2z
--x,-y,-z
-2x,2y,-z
-2y,-x,2-z
--y,2x,2-z
-x,2-y,-z
-2-x,y,-z
-2-y,2-x,2-z
-y,x,2-z
-
-133 P42/nbc (-1 origin, alt.)
-x,y,z
-2-x,2-y,z
--y,2x,2z
-2y,-x,2z
--x,2y,z
-2x,-y,z
-y,x,2z
-2-y,2-x,2z
--x,-y,-z
-2x,2y,-z
-y,2-x,2-z
-2-y,x,2-z
-x,2-y,-z
-2-x,y,-z
--y,-x,2-z
-2y,2x,2-z
-
-133 P42/nbc (222 origin)
-x,y,z
--x,-y,z
--y,x,2z
-y,-x,2z
-2-x,2y,z
-2x,2-y,z
-2y,2x,2z
-2-y,2-x,2z
-2-x,2-y,-z
-2x,2y,-z
-2y,2-x,2-z
-2-y,2x,2-z
+x,-y,1/2-z
+-x,y,1/2-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
+
+133 P4(2)/nbc (-1 origin)
+x,y,z
+1/2-x,1/2-y,z
+1/2-y,x,1/2+z
+y,1/2-x,1/2+z
+-x,1/2+y,z
+1/2+x,-y,z
+1/2+y,1/2+x,1/2+z
+-y,-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,1/2-z
+-y,1/2+x,1/2-z
+x,1/2-y,-z
+1/2-x,y,-z
+1/2-y,1/2-x,1/2-z
+y,x,1/2-z
+
+133 P4(2)/nbc (-1 origin, alt.)
+x,y,z
+1/2-x,1/2-y,z
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
+-x,1/2+y,z
+1/2+x,-y,z
+y,x,1/2+z
+1/2-y,1/2-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
+x,1/2-y,-z
+1/2-x,y,-z
+-y,-x,1/2-z
+1/2+y,1/2+x,1/2-z
+
+133 P4(2)/nbc (222 origin)
+x,y,z
+-x,-y,z
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
 x,-y,-z
 -x,y,-z
--y,-x,2-z
-y,x,2-z
+-y,-x,1/2-z
+y,x,1/2-z
 
-134 P42/nnm (-42m origin)
+134 P4(2)/nnm (-42m origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
-2-x,2y,2z
-2x,2-y,2z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 y,x,z
 -y,-x,z
-2-x,2-y,2-z
-2x,2y,2-z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
 y,-x,-z
 -y,x,-z
 x,-y,-z
 -x,y,-z
-2-y,2-x,2-z
-2y,2x,2-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 134 P42/nnm (2/m origin)
 x,y,z
-2-x,2-y,z
-2-y,x,2z
-y,2-x,2z
--x,2y,2z
-2x,-y,2z
-2y,2x,z
+1/2-x,1/2-y,z
+1/2-y,x,1/2+z
+y,1/2-x,1/2+z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+y,1/2+x,z
 -y,-x,z
 -x,-y,-z
-2x,2y,-z
-2y,-x,2-z
--y,2x,2-z
-x,2-y,2-z
-2-x,y,2-z
-2-y,2-x,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,1/2-z
+-y,1/2+x,1/2-z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-y,1/2-x,-z
 y,x,-z
 
 134 P4(2)/nnm (2/m origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2x,2z
-2y,-x,2z
--x,2y,2z
-2x,-y,2z
+1/2-x,1/2-y,z
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
 y,x,z
-2-y,2-x,z
+1/2-y,1/2-x,z
 -x,-y,-z
-2x,2y,-z
-y,2-x,2-z
-2-y,x,2-z
-x,2-y,2-z
-2-x,y,2-z
+1/2+x,1/2+y,-z
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
 -y,-x,-z
-2y,2x,-z
+1/2+y,1/2+x,-z
 
 134 P4(2)/nnm (4(2)22 origin)
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
-2-x,2y,2z
-2x,2-y,2z
-2y,2x,z
-2-y,2-x,z
-2-x,2-y,2-z
-2x,2y,2-z
-2y,2-x,-z
-2-y,2x,-z
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
 x,-y,-z
 -x,y,-z
--y,-x,2-z
-y,x,2-z
+-y,-x,1/2-z
+y,x,1/2-z
 
 135 P4(2)/mbc (4(2)/m origin)
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
-2-x,2y,z
-2x,2-y,z
-2y,2x,2z
-2-y,2-x,2z
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 -x,-y,-z
 x,y,-z
-y,-x,2-z
--y,x,2-z
-2x,2-y,-z
-2-x,2y,-z
-2-y,2-x,2-z
-2y,2x,2-z
+y,-x,1/2-z
+-y,x,1/2-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 135 P4(2)/mbc (222 origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
-2-x,2y,z
-2x,2-y,z
-y,x,2z
--y,-x,2z
--x,-y,2-z
-x,y,2-z
-2y,2-x,-z
-2-y,2x,-z
-2x,2-y,2-z
-2-x,2y,2-z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2+y,z
+1/2+x,1/2-y,z
+y,x,1/2+z
+-y,-x,1/2+z
+-x,-y,1/2-z
+x,y,1/2-z
+1/2+y,1/2-x,-z
+1/2-y,1/2+x,-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -y,-x,-z
 y,x,-z
 
 136 P4(2)/mnm (mmm origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
-2-x,2y,2z
-2x,2-y,2z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
 y,x,z
 -y,-x,z
 -x,-y,-z
 x,y,-z
-2y,2-x,2-z
-2-y,2x,2-z
-2x,2-y,2-z
-2-x,2y,2-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -y,-x,-z
 y,x,-z
 
 136 P4(2)/mnm (4(2)/m origin)
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
-2-x,2y,2z
-2x,2-y,2z
-2y,2x,z
-2-y,2-x,z
+-y,x,1/2+z
+y,-x,1/2+z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
 -x,-y,-z
 x,y,-z
-y,-x,2-z
--y,x,2-z
-2x,2-y,2-z
-2-x,2y,2-z
-2-y,2-x,-z
-2y,2x,-z
+y,-x,1/2-z
+-y,x,1/2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 137 P4(2)/nmc (-4m2 origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
 -x,y,z
 x,-y,z
-2y,2x,2z
-2-y,2-x,2z
-2-x,2-y,2-z
-2x,2y,2-z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
 y,-x,-z
 -y,x,-z
-2x,2-y,2-z
-2-x,2y,2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -y,-x,-z
 y,x,-z
 
 137 P4(2)/nmc (-1 origin)
 x,y,z
-2-x,2-y,z
-2-y,x,2z
-y,2-x,2z
-2-x,y,z
-x,2-y,z
-y,x,2z
-2-y,2-x,2z
--x,-y,-z
-2x,2y,-z
-2y,-x,2-z
--y,2x,2-z
-2x,-y,-z
--x,2y,-z
--y,-x,2-z
-2y,2x,2-z
+1/2-x,1/2-y,z
+1/2-y,x,1/2+z
+y,1/2-x,1/2+z
+1/2-x,y,z
+x,1/2-y,z
+y,x,1/2+z
+1/2-y,1/2-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+1/2+y,-x,1/2-z
+-y,1/2+x,1/2-z
+1/2+x,-y,-z
+-x,1/2+y,-z
+-y,-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 137 P4(2)/nmc (-1 origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2x,2z
-2y,-x,2z
-2-x,y,z
-x,2-y,z
-2y,2x,2z
--y,-x,2z
--x,-y,-z
-2x,2y,-z
-y,2-x,2-z
-2-y,x,2-z
-2x,-y,-z
--x,2y,-z
-2-y,2-x,2-z
-y,x,2-z
+1/2-x,1/2-y,z
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
+1/2-x,y,z
+x,1/2-y,z
+1/2+y,1/2+x,1/2+z
+-y,-x,1/2+z
+-x,-y,-z
+1/2+x,1/2+y,-z
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
+1/2+x,-y,-z
+-x,1/2+y,-z
+1/2-y,1/2-x,1/2-z
+y,x,1/2-z
 
 137 P4(2)/nmc (4(2)/n origin)
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
+-y,x,1/2+z
+y,-x,1/2+z
 -x,y,z
 x,-y,z
-y,x,2z
--y,-x,2z
-2-x,2-y,-z
-2x,2y,-z
-2y,2-x,2-z
-2-y,2x,2-z
-2x,2-y,-z
-2-x,2y,-z
-2-y,2-x,2-z
-2y,2x,2-z
+y,x,1/2+z
+-y,-x,1/2+z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 138 P4(2)/ncm (-4 origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
--x,y,2z
-x,-y,2z
-2y,2x,z
-2-y,2-x,z
-2-x,2-y,2-z
-2x,2y,2-z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
+1/2-x,1/2-y,1/2-z
+1/2+x,1/2+y,1/2-z
 y,-x,-z
 -y,x,-z
-2x,2-y,-z
-2-x,2y,-z
--y,-x,2-z
-y,x,2-z
+1/2+x,1/2-y,-z
+1/2-x,1/2+y,-z
+-y,-x,1/2-z
+y,x,1/2-z
 
 138 P4(2)/ncm (2/m origin)
 x,y,z
-2-x,2-y,z
-2-y,x,2z
-y,2-x,2z
-2-x,y,2z
-x,2-y,2z
+1/2-x,1/2-y,z
+1/2-y,x,1/2+z
+y,1/2-x,1/2+z
+1/2-x,y,1/2+z
+x,1/2-y,1/2+z
 y,x,z
-2-y,2-x,z
+1/2-y,1/2-x,z
 -x,-y,-z
-2x,2y,-z
-2y,-x,2-z
--y,2x,2-z
-2x,-y,2-z
--x,2y,2-z
+1/2+x,1/2+y,-z
+1/2+y,-x,1/2-z
+-y,1/2+x,1/2-z
+1/2+x,-y,1/2-z
+-x,1/2+y,1/2-z
 -y,-x,-z
-2y,2x,-z
+1/2+y,1/2+x,-z
 
 138 P4(2)/ncm (2/m origin, alt.)
 x,y,z
-2-x,2-y,z
--y,2x,2z
-2y,-x,2z
-2-x,y,2z
-x,2-y,2z
-2y,2x,z
+1/2-x,1/2-y,z
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
+1/2-x,y,1/2+z
+x,1/2-y,1/2+z
+1/2+y,1/2+x,z
 -y,-x,z
 -x,-y,-z
-2x,2y,-z
-y,2-x,2-z
-2-y,x,2-z
-2x,-y,2-z
--x,2y,2-z
-2-y,2-x,-z
+1/2+x,1/2+y,-z
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
+1/2+x,-y,1/2-z
+-x,1/2+y,1/2-z
+1/2-y,1/2-x,-z
 y,x,-z
 
 138 P4(2)/ncm (222 origin)
 x,y,z
 -x,-y,z
-2-y,2x,2z
-2y,2-x,2z
--x,y,2z
-x,-y,2z
-2y,2x,z
-2-y,2-x,z
-2-x,2-y,-z
-2x,2y,-z
-y,-x,2-z
--y,x,2-z
-2x,2-y,2-z
-2-x,2y,2-z
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,1/2+x,z
+1/2-y,1/2-x,z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+y,-x,1/2-z
+-y,x,1/2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
 -y,-x,-z
 y,x,-z
 
 138 P4(2)/ncm (4(2)/n origin)
 x,y,z
 -x,-y,z
--y,x,2z
-y,-x,2z
--x,y,2z
-x,-y,2z
+-y,x,1/2+z
+y,-x,1/2+z
+-x,y,1/2+z
+x,-y,1/2+z
 y,x,z
 -y,-x,z
-2-x,2-y,-z
-2x,2y,-z
-2y,2-x,2-z
-2-y,2x,2-z
-2x,2-y,2-z
-2-x,2y,2-z
-2-y,2-x,-z
-2y,2x,-z
+1/2-x,1/2-y,-z
+1/2+x,1/2+y,-z
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2-z
+1/2-y,1/2-x,-z
+1/2+y,1/2+x,-z
 
 139 I4/mmm
 x,y,z
@@ -2239,95 +3220,95 @@ x,y,z
 -x,-y,z
 -y,x,z
 y,-x,z
--x,y,2z
-x,-y,2z
-y,x,2z
--y,-x,2z
+-x,y,1/2+z
+x,-y,1/2+z
+y,x,1/2+z
+-y,-x,1/2+z
 -x,-y,-z
 x,y,-z
 y,-x,-z
 -y,x,-z
-x,-y,2-z
--x,y,2-z
--y,-x,2-z
-y,x,2-z
+x,-y,1/2-z
+-x,y,1/2-z
+-y,-x,1/2-z
+y,x,1/2-z
 +(1/2,1/2,1/2)
 
 141 I4(1)/amd (-4m2 origin)
 x,y,z
 -x,-y,z
--y,2x,4z
-y,2-x,4z
-y,2-x,4z
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
+y,1/2-x,1/4+z
 -x,y,z
 x,-y,z
-y,2x,4z
--y,2-x,4z
--x,2-y,4-z
-x,2y,4-z
+y,1/2+x,1/4+z
+-y,1/2-x,1/4+z
+-x,1/2-y,1/4-z
+x,1/2+y,1/4-z
 y,-x,-z
 -y,x,-z
-x,2-y,4-z
--x,2y,4-z
+x,1/2-y,1/4-z
+-x,1/2+y,1/4-z
 -y,-x,-z
 y,x,-z
 +(1/2,1/2,1/2)
 
 141 I4(1)/amd (2/m origin)
 x,y,z
--x,2-y,z
-34-y,1x,34z
-34y,34-x,4z
+-x,1/2-y,z
+3/4-y,1/4+x,3/4+z
+3/4+y,3/4-x,1/4+z
 -x,y,z
-x,2-y,z
-4y,4x,34z
-4-y,34-x,4z
+x,1/2-y,z
+1/4+y,1/4+x,3/4+z
+1/4-y,3/4-x,1/4+z
 -x,-y,-z
-x,2y,-z
-34y,4-x,34-z
-34-y,34x,4-z
+x,1/2+y,-z
+3/4+y,1/4-x,3/4-z
+3/4-y,3/4+x,1/4-z
 x,-y,-z
--x,2y,-z
-4-y,4-x,34-z
-4y,34x,4-z
+-x,1/2+y,-z
+1/4-y,1/4-x,3/4-z
+1/4+y,3/4+x,1/4-z
 +(1/2,1/2,1/2)
 
 142 I4(1)/acd (-4 origin)
 x,y,z
 -x,-y,z
--y,2x,4z
-y,2-x,4z
--x,y,2z
-x,-y,2z
-2y,x,4z
-2-y,-x,4z
--x,2-y,4-z
-x,2y,4-z
+-y,1/2+x,1/4+z
+y,1/2-x,1/4+z
+-x,y,1/2+z
+x,-y,1/2+z
+1/2+y,x,1/4+z
+1/2-y,-x,1/4+z
+-x,1/2-y,1/4-z
+x,1/2+y,1/4-z
 y,-x,-z
 -y,x,-z
-2x,-y,4-z
-2-x,y,4-z
--y,-x,2-z
-y,x,2-z
+1/2+x,-y,1/4-z
+1/2-x,y,1/4-z
+-y,-x,1/2-z
+y,x,1/2-z
 +(1/2,1/2,1/2)
 
 142 I4(1)/acd (-1 origin)
 x,y,z
--x,2-y,z,
-34-y,4x,34z
-34y,34-x,4z
--x,y,2z
-2x,-y,z
-4y,4x,4z
-4-y,34-x,34z
--x,-y,-z
-x,2y,-z
-34y,4-x,34-z
-34-y,34x,4-z
-x,-y,2-z
-2-x,y,-z
-4-y,4-x,4-z
-4y,34x,34-z
+-x,1/2-y,z
+3/4-y,1/4+x,3/4+z
+3/4+y,3/4-x,1/4+z
+-x,y,1/2+z
+1/2+x,-y,z
+1/4+y,1/4+x,1/4+z
+1/4-y,3/4-x,3/4+z
+-x,-y,-z
+x,1/2+y,-z
+3/4+y,1/4-x,3/4-z
+3/4-y,3/4+x,1/4-z
+x,-y,1/2-z
+1/2-x,y,-z
+1/4-y,1/4-x,1/4-z
+1/4+y,3/4+x,3/4-z
 +(1/2,1/2,1/2)
 
 [Trigonal]
@@ -2336,21 +3317,45 @@ x,y,z
 -y,x-y,z
 -x+y,-x,z
 
-144 P31
+143 H3
+x,y,z
+-y,x-y,z
+-x+y,-x,z
++(2/3,1/3,0),(1/3,2/3,0)
+
+144 P3(1)
+x,y,z
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+
+144 H3(1)
+x,y,z
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
++(2/3,1/3,0),(1/3,2/3,0)
+
+145 P3(2)
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
 
-145 P32
+145 H3(2)
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
++(2/3,1/3,0),(1/3,2/3,0)
 
 146 R3
 x,y,z
 z,x,y
 y,z,x
 
+146 R3 (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
+
 147 P-3
 x,y,z
 -y,x-y,z
@@ -2359,6 +3364,15 @@ x,y,z
 y,-x+y,-z
 x-y,x,-z
 
+147 H-3
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 148 R-3
 x,y,z
 z,x,y
@@ -2367,6 +3381,15 @@ y,z,x
 -z,-x,-y
 -y,-z,-x
 
+148 R-3 (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
+
 149 P312
 x,y,z
 -y,x-y,z
@@ -2375,6 +3398,15 @@ x,y,z
 -x+y,y,-z
 x,x-y,-z
 
+149 H321
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,-z
+x-y,-y,-z
+-x,-x+y,-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 150 P321
 x,y,z
 -y,x-y,z
@@ -2383,37 +3415,82 @@ y,x,-z
 x-y,-y,-z
 -x,-x+y,-z
 
-151 P3112
+150 H312
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,-z
+-x+y,y,-z
+x,x-y,-z
++(2/3,1/3,0),(1/3,2/3,0)
+
+151 P3(1)12
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
--y,-x,-z+2/3
--x+y,y,-z+1/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+-y,-x,2/3-z
+-x+y,y,1/3-z
 x,x-y,-z
 
-152 P3121
+151 H3(1)21
+x,y,z
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+y,x,-z
+x-y,-y,2/3-z
+-x,-x+y,1/3-z
++(2/3,1/3,0),(1/3,2/3,0)
+
+152 P3(1)21
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
 y,x,-z
-x-y,-y,-z+2/3
--x,-x+y,-z+1/3
+x-y,-y,2/3-z
+-x,-x+y,1/3-z
 
-153 P3212
+152 H3(1)12
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
--y,-x,-z+1/3
--x+y,y,-z+2/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+-y,-x,2/3-z
+-x+y,y,1/3-z
 x,x-y,-z
++(2/3,1/3,0),(1/3,2/3,0)
 
-154 P3221
+153 P3(2)12
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
+-y,-x,1/3-z
+-x+y,y,2/3-z
+x,x-y,-z
+
+153 H3(2)21
+x,y,z
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
+y,x,-z
+x-y,-y,1/3-z
+-x,-x+y,2/3-z
++(2/3,1/3,0),(1/3,2/3,0)
+
+154 P3(2)21
+x,y,z
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
 y,x,-z
-x-y,-y,-z+1/3
--x,-x+y,-z+2/3
+x-y,-y,1/3-z
+-x,-x+y,2/3-z
+
+154 H3(2)12
+x,y,z
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
+-y,-x,1/3-z
+-x+y,y,2/3-z
+x,x-y,-z
++(2/3,1/3,0),(1/3,2/3,0)
 
 155 R32
 x,y,z
@@ -2423,6 +3500,15 @@ y,z,x
 -z,-y,-x
 -y,-x,-z
 
+155 R32 (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,-z
+x-y,-y,-z
+-x,-x+y,-z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
+
 156 P3m1
 x,y,z
 -y,x-y,z
@@ -2431,6 +3517,15 @@ x,y,z
 -x+y,y,z
 x,x-y,z
 
+156 H31m
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,z
+x-y,-y,z
+-x,-x+y,z
++(2/3,1/3,0),(1/3,2/3,0)
+
 157 P31m
 x,y,z
 -y,x-y,z
@@ -2439,21 +3534,48 @@ y,x,z
 x-y,-y,z
 -x,-x+y,z
 
+157 H3m1
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,z
+-x+y,y,z
+x,x-y,z
++(2/3,1/3,0),(1/3,2/3,0)
+
 158 P3c1
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--y,-x,z+1/2
--x+y,y,z+1/2
-x,x-y,z+1/2
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+
+158 P31c
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
++(2/3,1/3,0),(1/3,2/3,0)
 
 159 P31c
 x,y,z
 -y,x-y,z
 -x+y,-x,z
-y,x,z+1/2
-x-y,-y,z+1/2
--x,-x+y,z+1/2
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
+
+159 H3c1
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
++(2/3,1/3,0),(1/3,2/3,0)
 
 160 R3m
 x,y,z
@@ -2463,13 +3585,31 @@ x,z,y
 z,y,x
 y,x,z
 
+160 R3m (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,z
+-x+y,y,z
+x,x-y,z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
+
 161 R3c
 x,y,z
 z,x,y
 y,z,x
-x+1/2,z+1/2,y+1/2
-z+1/2,y+1/2,x+1/2
-y+1/2,x+1/2,z+1/2
+1/2+x,1/2+z,1/2+y
+1/2+z,1/2+y,1/2+x
+1/2+y,1/2+x,1/2+z
+
+161 R3c (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
 
 162 P-31m
 x,y,z
@@ -2485,34 +3625,64 @@ x-y,x,-z
 -x+y,y,-z
 x,x-y,-z
 
+162 H-3m1
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,z
+-x+y,y,z
+x,x-y,z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+y,x,-z
+x-y,-y,-z
+-x,-x+y,-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 163 P-31c (-3 origin)
 x,y,z
 -y,x-y,z
 -x+y,-x,z
-y,x,z+1/2
-x-y,-y,z+1/2
--x,-x+y,z+1/2
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 -x,-y,-z
 y,-x+y,-z
 x-y,x,-z
--y,-x,-z+1/2
--x+y,y,-z+1/2
-x,x-y,-z+1/2
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
 
 163 P-31c (32 origin)
 x,y,z
 -y,x-y,z
 -x+y,-x,z
-y,x,z+1/2
-x-y,-y,z+1/2
--x,-x+y,z+1/2
--x,-y,-z+1/2
-y,-x+y,-z+1/2
-x-y,x,-z+1/2
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
+-x,-y,1/2-z
+y,-x+y,1/2-z
+x-y,x,1/2-z
 -y,-x,-z
 -x+y,y,-z
 x,x-y,-z
 
+163 H-3c1
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 164 P-3m1
 x,y,z
 -y,x-y,z
@@ -2527,34 +3697,64 @@ y,x,-z
 x-y,-y,-z
 -x,-x+y,-z
 
+164 H-31m
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,z
+x-y,-y,z
+-x,-x+y,z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+-y,-x,-z
+-x+y,y,-z
+x,x-y,-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 165 P-3c1 (-3 origin)
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--y,-x,z+1/2
--x+y,y,z+1/2
-x,x-y,z+1/2
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
 -x,-y,-z
 y,-x+y,-z
 x-y,x,-z
-y,x,-z+1/2
-x-y,-y,-z+1/2
--x,-x+y,-z+1/2
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
 
 165 P-3c1 (32 origin)
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--y,-x,z+1/2
--x+y,y,z+1/2
-x,x-y,z+1/2
--x,-y,-z+1/2
-y,-x+y,-z+1/2
-x-y,x,-z+1/2
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+-x,-y,1/2-z
+y,-x+y,1/2-z
+x-y,x,1/2-z
 y,x,-z
 x-y,-y,-z
 -x,-x+y,-z
 
+165 H-31c
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
++(2/3,1/3,0),(1/3,2/3,0)
+
 166 R-3m
 x,y,z
 z,x,y
@@ -2569,19 +3769,49 @@ y,x,z
 -z,-y,-x
 -y,-x,-z
 
+166 R-3m (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,z
+-x+y,y,z
+x,x-y,z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+y,x,-z
+x-y,-y,-z
+-x,-x+y,-z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
+
 167 R-3c
 x,y,z
 z,x,y
 y,z,x
-x+1/2,z+1/2,y+1/2
-z+1/2,y+1/2,x+1/2
-y+1/2,x+1/2,z+1/2
+1/2+x,1/2+z,1/2+y
+1/2+z,1/2+y,1/2+x
+1/2+y,1/2+x,1/2+z
 -x,-y,-z
 -z,-x,-y
 -y,-z,-x
--x+1/2,-z+1/2,-y+1/2
--z+1/2,-y+1/2,-x+1/2
--y+1/2,-x+1/2,-z+1/2
+1/2-x,1/2-z,1/2-y
+1/2-z,1/2-y,1/2-x
+1/2-y,1/2-x,1/2-z
+
+167 R-3c (hexagonal axes)
+x,y,z
+-y,x-y,z
+-x+y,-x,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+-x,-y,-z
+y,-x+y,-z
+x-y,x,-z
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
++(2/3,1/3,1/3),(1/3,2/3,2/3)
 
 [Hexagonal]
 168 P6
@@ -2594,43 +3824,43 @@ y,-x+y,z
 
 169 P6(1)
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
--x,-y,z+1/2
-x-y,x,z+1/6
-y,-x+y,z+5/6
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+-x,-y,1/2+z
+x-y,x,1/6+z
+y,-x+y,5/6+z
 
 170 P6(5)
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
--x,-y,z+1/2
-x-y,x,z+5/6
-y,-x+y,z+1/6
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
+-x,-y,1/2+z
+x-y,x,5/6+z
+y,-x+y,1/6+z
 
 171 P6(2)
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
 -x,-y,z
-x-y,x,z+1/3
-y,-x+y,z+2/3
+x-y,x,1/3+z
+y,-x+y,2/3+z
 
 172 P6(4)
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
 -x,-y,z
-x-y,x,z+2/3
-y,-x+y,z+1/3
+x-y,x,2/3+z
+y,-x+y,1/3+z
 
 173 P6(3)
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--x,-y,z+1/2
-x-y,x,z+1/2
-y,-x+y,z+1/2
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
 
 174 P-6
 x,y,z
@@ -2658,15 +3888,15 @@ x,y,-z
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--x,-y,z+1/2
-x-y,x,z+1/2
-y,-x+y,z+1/2
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
 -x,-y,-z
 y,-x+y,-z
 x-y,x,-z
-x,y,-z+1/2
--x+y,-x,-z+1/2
--y,x-y,-z+1/2
+x,y,1/2-z
+-x+y,-x,1/2-z
+-y,x-y,1/2-z
 
 177 P622
 x,y,z
@@ -2684,317 +3914,317 @@ x,x-y,-z
 
 178 P6(1)22
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
--x,-y,z+1/2
-x-y,x,z+1/6
-y,-x+y,z+5/6
-y,x,-z+1/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
+-x,-y,1/2+z
+x-y,x,1/6+z
+y,-x+y,5/6+z
+y,x,1/3-z
 x-y,-y,-z
--x,-x+y,-z+2/3
--y,-x,-z+5/6
--x+y,y,-z+1/2
-x,x-y,-z+1/6
+-x,-x+y,2/3-z
+-y,-x,5/6-z
+-x+y,y,1/2-z
+x,x-y,1/6-z
 
 179 P6(5)22
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
--x,-y,z+1/2
-x-y,x,z+5/6
-y,-x+y,z+1/6
-y,x,-z+2/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
+-x,-y,1/2+z
+x-y,x,5/6+z
+y,-x+y,1/6+z
+y,x,2/3-z
 x-y,-y,-z
--x,-x+y,-z+1/3
--y,-x,-z+1/6
--x+y,y,-z+1/2
-x,x-y,-z+5/6
+-x,-x+y,1/3-z
+-y,-x,1/6-z
+-x+y,y,1/2-z
+x,x-y,5/6-z
 
 180 P6(2)22
 x,y,z
--y,x-y,z+2/3
--x+y,-x,z+1/3
+-y,x-y,2/3+z
+-x+y,-x,1/3+z
 -x,-y,z
-x-y,x,z+1/3
-y,-x+y,z+2/3
-y,x,-z+2/3
+x-y,x,1/3+z
+y,-x+y,2/3+z
+y,x,2/3-z
 x-y,-y,-z
--x,-x+y,-z+1/3
--y,-x,-z+2/3
+-x,-x+y,1/3-z
+-y,-x,2/3-z
 -x+y,y,-z
-x,x-y,-z+1/3
+x,x-y,1/3-z
 
 181 P6(4)22
 x,y,z
--y,x-y,z+1/3
--x+y,-x,z+2/3
+-y,x-y,1/3+z
+-x+y,-x,2/3+z
 -x,-y,z
-x-y,x,z+2/3
-y,-x+y,z+1/3
-y,x,-z+1/3
+x-y,x,2/3+z
+y,-x+y,1/3+z
+y,x,1/3-z
 x-y,-y,-z
--x,-x+y,-z+2/3
--y,-x,-z+1/3
+-x,-x+y,2/3-z
+-y,-x,1/3-z
 -x+y,y,-z
-x,x-y,-z+2/3
+x,x-y,2/3-z
 
 182 P6(3)22
 x,y,z
 -y,x-y,z
 -x+y,-x,z
--x,-y,2z
-x-y,x,2z
-y,-xy,2z
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
 y,x,-z
 x-y,-y,-z
--x,-xy,-z
--y,-x,2-z
--xy,y,2-z
-x,x-y,2-z
+-x,-x+y,-z
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
 
 183 P6mm
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 -x,-y,z
 x-y,x,z
-y,-xy,z
+y,-x+y,z
 -y,-x,z
--xy,y,z
+-x+y,y,z
 x,x-y,z
 y,x,z
 x-y,-y,z
--x,-xy,z
+-x,-x+y,z
 
 184 P6cc
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 -x,-y,z
 x-y,x,z
-y,-xy,z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
+y,-x+y,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 
 185 P6(3)cm
 x,y,z
 -y,x-y,z
--xy,-x,z
--x,-y,2z
-x-y,x,2z
-y,-xy,2z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
+-x+y,-x,z
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
 y,x,z
 x-y,-y,z
--x,-xy,z
+-x,-x+y,z
 
 186 P6(3)mc
 x,y,z
 -y,x-y,z
--xy,-x,z
--x,-y,2z
-x-y,x,2z
-y,-xy,2z
+-x+y,-x,z
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
 -y,-x,z
--xy,y,z
+-x+y,y,z
 x,x-y,z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 
 187 P-6m2
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
 -y,-x,z
--xy,y,z
+-x+y,y,z
 x,x-y,z
 -y,-x,-z
--xy,y,-z
+-x+y,y,-z
 x,x-y,-z
 
 188 P-6c2 (312 origin)
 x,y,z
 -y,x-y,z
--xy,-x,z
-x,y,2-z
--xy,-x,2-z
--y,x-y,2-z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
+-x+y,-x,z
+x,y,1/2-z
+-x+y,-x,1/2-z
+-y,x-y,1/2-z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
 -y,-x,-z
--xy,y,-z
+-x+y,y,-z
 x,x-y,-z
 
 188 P-6c2 (-6 origin)
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
--y,-x,2-z
--xy,y,2-z
-x,x-y,2-z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
 
 189 P-62m
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
 y,x,-z
 x-y,-y,-z
--x,-xy,-z
+-x,-x+y,-z
 y,x,z
 x-y,-y,z
--x,-xy,z
+-x,-x+y,z
 
 190 P-62c (321 origin)
 x,y,z
 -y,x-y,z
--xy,-x,z
-x,y,2-z
--xy,-x,2-z
--y,x-y,2-z
+-x+y,-x,z
+x,y,1/2-z
+-x+y,-x,1/2-z
+-y,x-y,1/2-z
 y,x,-z
 x-y,-y,-z
--x,-xy,-z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
+-x,-x+y,-z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 
 190 P-62c (-6 origin)
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
-y,x,2-z
-x-y,-y,2-z
--x,-xy,2-z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 
 191 P6/mmm
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 -x,-y,z
 x-y,x,z
-y,-xy,z
+y,-x+y,z
 -y,-x,z
--xy,y,z
+-x+y,y,z
 x,x-y,z
 y,x,z
 x-y,-y,z
--x,-xy,z
+-x,-x+y,z
 -x,-y,-z
-y,-xy,-z
+y,-x+y,-z
 x-y,x,-z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
 y,x,-z
 x-y,-y,-z
--x,-xy,-z
+-x,-x+y,-z
 -y,-x,-z
--xy,y,-z
+-x+y,y,-z
 x,x-y,-z
 
 192 P6/mcc
 x,y,z
 -y,x-y,z
--xy,-x,z
+-x+y,-x,z
 -x,-y,z
 x-y,x,z
-y,-xy,z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
--x,-y,-z
-y,-xy,-z
+y,-x+y,z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
+-x,-y,-z
+y,-x+y,-z
 x-y,x,-z
 x,y,-z
--xy,-x,-z
+-x+y,-x,-z
 -y,x-y,-z
-y,x,2-z
-x-y,-y,2-z
--x,-xy,2-z
--y,-x,2-z
--xy,y,2-z
-x,x-y,2-z
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
 
 193 P6(3)/mcm
 x,y,z
 -y,x-y,z
--xy,-x,z
--x,-y,2z
-x-y,x,2z
-y,-xy,2z
--y,-x,2z
--xy,y,2z
-x,x-y,2z
+-x+y,-x,z
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
+-y,-x,1/2+z
+-x+y,y,1/2+z
+x,x-y,1/2+z
 y,x,z
 x-y,-y,z
--x,-xy,z
+-x,-x+y,z
 -x,-y,-z
-y,-xy,-z
+y,-x+y,-z
 x-y,x,-z
-x,y,2-z
--xy,-x,2-z
--y,x-y,2-z
-y,x,2-z
-x-y,-y,2-z
--x,-xy,2-z
+x,y,1/2-z
+-x+y,-x,1/2-z
+-y,x-y,1/2-z
+y,x,1/2-z
+x-y,-y,1/2-z
+-x,-x+y,1/2-z
 -y,-x,-z
--xy,y,-z
+-x+y,y,-z
 x,x-y,-z
 
 194 P6(3)/mmc
 x,y,z
 -y,x-y,z
--xy,-x,z
--x,-y,2z
-x-y,x,2z
-y,-xy,2z
+-x+y,-x,z
+-x,-y,1/2+z
+x-y,x,1/2+z
+y,-x+y,1/2+z
 -y,-x,z
--xy,y,z
+-x+y,y,z
 x,x-y,z
-y,x,2z
-x-y,-y,2z
--x,-xy,2z
+y,x,1/2+z
+x-y,-y,1/2+z
+-x,-x+y,1/2+z
 -x,-y,-z
-y,-xy,-z
+y,-x+y,-z
 x-y,x,-z
-x,y,2-z
--xy,-x,2-z
--y,x-y,2-z
+x,y,1/2-z
+-x+y,-x,1/2-z
+-y,x-y,1/2-z
 y,x,-z
 x-y,-y,-z
--x,-xy,-z
--y,-x,2-z
--xy,y,2-z
-x,x-y,2-z
+-x,-x+y,-z
+-y,-x,1/2-z
+-x+y,y,1/2-z
+x,x-y,1/2-z
 
 [Cubic]
 195 P23
@@ -3041,33 +4271,33 @@ y,z,x
 y,-z,-x
 +(1/2,1/2,1/2)
 
-198 P213
+198 P2(1)3
 x,y,z
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--x+1/2,-y,z+1/2
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 z,x,y
--z+1/2,-x,y+1/2
-z+1/2,-x+1/2,-y
--z,x+1/2,-y+1/2
+1/2-z,-x,1/2+y
+1/2+z,1/2-x,-y
+-z,1/2+x,1/2-y
 y,z,x
--y,z+1/2,-x+1/2
--y+1/2,-z,x+1/2
-y+1/2,-z+1/2,-x
+-y,1/2+z,1/2-x
+1/2-y,-z,1/2+x
+1/2+y,1/2-z,-x
 
-199 I213
+199 I2(1)3
 x,y,z
-x+1/2,-y+1/2,-z
--x,y+1/2,-z+1/2
--x+1/2,-y,z+1/2
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 z,x,y
--z+1/2,-x,y+1/2
-z+1/2,-x+1/2,-y
--z,x+1/2,-y+1/2
+1/2-z,-x,1/2+y
+1/2+z,1/2-x,-y
+-z,1/2+x,1/2-y
 y,z,x
--y,z+1/2,-x+1/2
--y+1/2,-z,x+1/2
-y+1/2,-z+1/2,-x
+-y,1/2+z,1/2-x
+1/2-y,-z,1/2+x
+1/2+y,1/2-z,-x
 +(1/2,1/2,1/2)
 
 200 Pm-3
@@ -3109,44 +4339,44 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
--x+1/2,-y+1/2,-z+1/2
--x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
--z+1/2,-x+1/2,-y+1/2
-z+1/2,x+1/2,-y+1/2
--z+1/2,x+1/2,y+1/2
-z+1/2,-x+1/2,y+1/2
--y+1/2,-z+1/2,-x+1/2
-y+1/2,-z+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
--y+1/2,z+1/2,x+1/2
+1/2-x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+1/2-z,1/2-x,1/2-y
+1/2+z,1/2+x,1/2-y
+1/2-z,1/2+x,1/2+y
+1/2+z,1/2-x,1/2+y
+1/2-y,1/2-z,1/2-x
+1/2+y,1/2-z,1/2+x
+1/2+y,1/2+z,1/2-x
+1/2-y,1/2+z,1/2+x
 
 201 Pn-3 (-3 origin)
 x,y,z
-x,-y+1/2,-z+1/2
--x+1/2,y,-z+1/2
--x+1/2,-y+1/2,z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,1/2-y,z
 z,x,y
--z+1/2,-x+1/2,y
-z,-x+1/2,-y+1/2
--z+1/2,x,-y+1/2
+1/2-z,1/2-x,y
+z,1/2-x,1/2-y
+1/2-z,x,1/2-y
 y,z,x
--y+1/2,z,-x+1/2
--y+1/2,-z+1/2,x
-y,-z+1/2,-x+1/2
+1/2-y,z,1/2-x
+1/2-y,1/2-z,x
+y,1/2-z,1/2-x
 -x,-y,-z
--x,y+1/2,z+1/2
-x+1/2,-y,z+1/2
-x+1/2,y+1/2,-z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,1/2+y,-z
 -z,-x,-y
-z+1/2,x+1/2,-y
--z,x+1/2,y+1/2
-z+1/2,-x,y+1/2
+1/2+z,1/2+x,-y
+-z,1/2+x,1/2+y
+1/2+z,-x,1/2+y
 -y,-z,-x
-y+1/2,-z,x+1/2
-y+1/2,z+1/2,-x
--y,z+1/2,x+1/2
+1/2+y,-z,1/2+x
+1/2+y,1/2+z,-x
+-y,1/2+z,1/2+x
 
 202 Fm-3
 x,y,z
@@ -3188,45 +4418,45 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-4-x,4-y,4-z
-4-x,4y,4z
-4x,4-y,4z
-4x,4y,4-z
-4-z,4-x,4-y
-4z,4x,4-y
-4-z,4x,4y
-4z,4-x,4y
-4-y,4-z,4-x
-4y,4-z,4x
-4y,4z,4-x
-4-y,4z,4x
+1/4-x,1/4-y,1/4-z
+1/4-x,1/4+y,1/4+z
+1/4+x,1/4-y,1/4+z
+1/4+x,1/4+y,1/4-z
+1/4-z,1/4-x,1/4-y
+1/4+z,1/4+x,1/4-y
+1/4-z,1/4+x,1/4+y
+1/4+z,1/4-x,1/4+y
+1/4-y,1/4-z,1/4-x
+1/4+y,1/4-z,1/4+x
+1/4+y,1/4+z,1/4-x
+1/4-y,1/4+z,1/4+x
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 203 Fd-3 (-3 origin)
 x,y,z
-x,4-y,4-z
-4-x,y,4-z
-4-x,4-y,z
+x,1/4-y,1/4-z
+1/4-x,y,1/4-z
+1/4-x,1/4-y,z
 z,x,y
-4-z,4-x,y
-z,4-x,4-y
-4-z,x,4-y
+1/4-z,1/4-x,y
+z,1/4-x,1/4-y
+1/4-z,x,1/4-y
 y,z,x
-4-y,z,4-x
-4-y,4-z,x
-y,4-z,4-x
+1/4-y,z,1/4-x
+1/4-y,1/4-z,x
+y,1/4-z,1/4-x
 -x,-y,-z
--x,4y,4z
-4x,-y,4z
-4x,4y,-z
+-x,1/4+y,1/4+z
+1/4+x,-y,1/4+z
+1/4+x,1/4+y,-z
 -z,-x,-y
-4z,4x,-y
--z,4x,4y
-4z,-x,4y
+1/4+z,1/4+x,-y
+-z,1/4+x,1/4+y
+1/4+z,-x,1/4+y
 -y,-z,-x
-4y,-z,4x
-4y,4z,-x
--y,4z,4x
+1/4+y,-z,1/4+x
+1/4+y,1/4+z,-x
+-y,1/4+z,1/4+x
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 204 Im-3
@@ -3258,55 +4488,55 @@ y,z,-x
 
 205 Pa-3
 x,y,z
-2x,2-y,-z
--x,2y,2-z
-2-x,-y,2z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 z,x,y
-2-z,-x,2y
-2z,2-x,-y
--z,2x,2-y
+1/2-z,-x,1/2+y
+1/2+z,1/2-x,-y
+-z,1/2+x,1/2-y
 y,z,x
--y,2z,2-x
-2-y,-z,2x
-2y,2-z,-x
+-y,1/2+z,1/2-x
+1/2-y,-z,1/2+x
+1/2+y,1/2-z,-x
 -x,-y,-z
-2-x,2y,z
-x,2-y,2z
-2x,y,2-z
+1/2-x,1/2+y,z
+x,1/2-y,1/2+z
+1/2+x,y,1/2-z
 -z,-x,-y
-2z,x,2-y
-2-z,2x,y
-z,2-x,2y
+1/2+z,x,1/2-y
+1/2-z,1/2+x,y
+z,1/2-x,1/2+y
 -y,-z,-x
-y,2-z,2x
-2y,z,2-x
-2-y,2z,x
+y,1/2-z,1/2+x
+1/2+y,z,1/2-x
+1/2-y,1/2+z,x
 
 206 Ia-3
 x,y,z
-x,-y,2-z
-2-x,y,-z
--x,2-y,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 z,x,y
--z,2-x,y
-z,-x,2-y
-2-z,x,-y
+-z,1/2-x,y
+z,-x,1/2-y
+1/2-z,x,-y
 y,z,x
-2-y,z,-x
--y,2-z,x
-y,-z,2-x
+1/2-y,z,-x
+-y,1/2-z,x
+y,-z,1/2-x
 -x,-y,-z
--x,y,2z
-2x,-y,z
-x,2y,-z
+-x,y,1/2+z
+1/2+x,-y,z
+x,1/2+y,-z
 -z,-x,-y
-z,2x,-y
--z,x,2y
-2z,-x,y
+z,1/2+x,-y
+-z,x,1/2+y
+1/2+z,-x,y
 -y,-z,-x
-2y,-z,x
-y,2z,-x
--y,z,2x
+1/2+y,-z,x
+y,1/2+z,-x
+-y,z,1/2+x
 +(1/2,1/2,1/2)
 
 207 P432
@@ -3348,18 +4578,18 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-2x,2-z,2y
-2x,2z,2-y
-2-x,2-z,2-y
-2-x,2z,2y
-2z,2y,2-x
-2-z,2y,2x
-2-z,2-y,2-x
-2z,2-y,2x
-2-y,2x,2z
-2y,2-x,2z
-2-y,2-x,2-z
-2y,2x,2-z
+1/2+x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2-y
+1/2-x,1/2+z,1/2+y
+1/2+z,1/2+y,1/2-x
+1/2-z,1/2+y,1/2+x
+1/2-z,1/2-y,1/2-x
+1/2+z,1/2-y,1/2+x
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 
 209 F432
 x,y,z
@@ -3401,18 +4631,18 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-4x,4-z,4y
-4x,4z,4-y
-4-x,4-z,4-y
-4-x,4z,4y
-4z,4y,4-x
-4-z,4y,4x
-4-z,4-y,4-x
-4z,4-y,4x
-4-y,4x,4z
-4y,4-x,4z
-4-y,4-x,4-z
-4y,4x,4-z
+1/4+x,1/4-z,1/4+y
+1/4+x,1/4+z,1/4-y
+1/4-x,1/4-z,1/4-y
+1/4-x,1/4+z,1/4+y
+1/4+z,1/4+y,1/4-x
+1/4-z,1/4+y,1/4+x
+1/4-z,1/4-y,1/4-x
+1/4+z,1/4-y,1/4+x
+1/4-y,1/4+x,1/4+z
+1/4+y,1/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+1/4+y,1/4+x,1/4-z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 211 I432
@@ -3444,81 +4674,81 @@ y,x,-z
 
 212 P4(3)32
 x,y,z
-2x,2-y,-z
--x,2y,2-z
-2-x,-y,2z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 z,x,y
-2-z,-x,2y
-2z,2-x,-y
--z,2x,2-y
+1/2-z,-x,1/2+y
+1/2+z,1/2-x,-y
+-z,1/2+x,1/2-y
 y,z,x
--y,2z,2-x
-2-y,-z,2x
-2y,2-z,-x
-34x,34-z,4y
-4x,34z,34-y
-4-x,4-z,4-y
-34-x,4z,34y
-4z,34y,34-x
-34-z,4y,34x
-4-z,4-y,4-x
-34z,34-y,4x
-34-y,4x,34z
-34y,34-x,4z
-4-y,4-x,4-z
-4y,34x,34-z
+-y,1/2+z,1/2-x
+1/2-y,-z,1/2+x
+1/2+y,1/2-z,-x
+3/4+x,3/4-z,1/4+y
+1/4+x,3/4+z,3/4-y
+1/4-x,1/4-z,1/4-y
+3/4-x,1/4+z,3/4+y
+1/4+z,3/4+y,3/4-x
+3/4-z,1/4+y,3/4+x
+1/4-z,1/4-y,1/4-x
+3/4+z,3/4-y,1/4+x
+3/4-y,1/4+x,3/4+z
+3/4+y,3/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+1/4+y,3/4+x,3/4-z
 
 213 P4(1)32
 x,y,z
-2x,2-y,-z
--x,2y,2-z
-2-x,-y,2z
+1/2+x,1/2-y,-z
+-x,1/2+y,1/2-z
+1/2-x,-y,1/2+z
 z,x,y
-2-z,-x,2y
-2z,2-x,-y
--z,2x,2-y
+1/2-z,-x,1/2+y
+1/2+z,1/2-x,-y
+-z,1/2+x,1/2-y
 y,z,x
--y,2z,2-x
-2-y,-z,2x
-2y,2-z,-x
-4x,4-z,34y
-34x,4z,4-y
-34-x,34-z,34-y
-4-x,34z,4y
-34z,4y,4-x
-4-z,34y,4x
-34-z,34-y,34-x
-4z,4-y,34x
-4-y,34x,4z
-4y,4-x,34z
-34-y,34-x,34-z
-34y,4x,4-z
+-y,1/2+z,1/2-x
+1/2-y,-z,1/2+x
+1/2+y,1/2-z,-x
+1/4+x,1/4-z,3/4+y
+3/4+x,1/4+z,1/4-y
+3/4-x,3/4-z,3/4-y
+1/4-x,3/4+z,1/4+y
+3/4+z,1/4+y,1/4-x
+1/4-z,3/4+y,1/4+x
+3/4-z,3/4-y,3/4-x
+1/4+z,1/4-y,3/4+x
+1/4-y,3/4+x,1/4+z
+1/4+y,1/4-x,3/4+z
+3/4-y,3/4-x,3/4-z
+3/4+y,1/4+x,1/4-z
 
 214 I4(1)32
 x,y,z
-x,-y,2-z
-2-x,y,-z
--x,2-y,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 z,x,y
--z,2-x,y
-z,-x,2-y
-2-z,x,-y
+-z,1/2-x,y
+z,-x,1/2-y
+1/2-z,x,-y
 y,z,x
-2-y,z,-x
--y,2-z,x
-y,-z,2-x
-34x,34-z,4y
-4x,34z,34-y
-4-x,4-z,4-y
-34-x,4z,34y
-4z,34y,34-x
-34-z,4y,34x
-4-z,4-y,4-x
-34z,34-y,4x
-34-y,4x,34z
-34y,34-x,4z
-4-y,4-x,4-z
-4y,34x,34-z
+1/2-y,z,-x
+-y,1/2-z,x
+y,-z,1/2-x
+3/4+x,3/4-z,1/4+y
+1/4+x,3/4+z,3/4-y
+1/4-x,1/4-z,1/4-y
+3/4-x,1/4+z,3/4+y
+1/4+z,3/4+y,3/4-x
+3/4-z,1/4+y,3/4+x
+1/4-z,1/4-y,1/4-x
+3/4+z,3/4-y,1/4+x
+3/4-y,1/4+x,3/4+z
+3/4+y,3/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+1/4+y,3/4+x,3/4-z
 +(1/2,1/2,1/2)
 
 215 P-43m
@@ -3614,18 +4844,18 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-2-x,2z,2-y
-2-x,2-z,2y
-2x,2z,2y
-2x,2-z,2-y
-2-z,2-y,2x
-2z,2-y,2-x
-2z,2y,2x
-2-z,2y,2-x
-2y,2-x,2-z
-2-y,2x,2-z
-2y,2x,2z
-2-y,2-x,2z
+1/2-x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2+y
+1/2+x,1/2-z,1/2-y
+1/2-z,1/2-y,1/2+x
+1/2+z,1/2-y,1/2-x
+1/2+z,1/2+y,1/2+x
+1/2-z,1/2+y,1/2-x
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
 219 F-43c
 x,y,z
@@ -3640,45 +4870,45 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
--x,z,2-y
--x,-z,2y
-x,z,2y
-x,-z,2-y
--z,-y,2x
-z,-y,2-x
-z,y,2x
--z,y,2-x
-y,-x,2-z
--y,x,2-z
-y,x,2z
--y,-x,2z
+-x,z,1/2-y
+-x,-z,1/2+y
+x,z,1/2+y
+x,-z,1/2-y
+-z,-y,1/2+x
+z,-y,1/2-x
+z,y,1/2+x
+-z,y,1/2-x
+y,-x,1/2-z
+-y,x,1/2-z
+y,x,1/2+z
+-y,-x,1/2+z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 220 I-43d
 x,y,z
-x,-y,2-z
-2-x,y,-z
--x,2-y,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 z,x,y
--z,2-x,y
-z,-x,2-y
-2-z,x,-y
+-z,1/2-x,y
+z,-x,1/2-y
+1/2-z,x,-y
 y,z,x
-2-y,z,-x
--y,2-z,x
-y,-z,2-x
-4-x,4z,34-y
-4-x,34-z,34y
-4x,4z,4y
-4x,34-z,4-y
-4-z,34-y,34x
-4z,34-y,4-x
-4z,4y,4x
-4-z,4y,34-x
-4y,34-x,4-z
-34-y,34x,4-z
-4y,4x,4z
-4-y,34-x,34z
+1/2-y,z,-x
+-y,1/2-z,x
+y,-z,1/2-x
+1/4-x,1/4+z,3/4-y
+1/4-x,3/4-z,3/4+y
+1/4+x,1/4+z,1/4+y
+1/4+x,3/4-z,1/4-y
+1/4-z,3/4-y,3/4+x
+1/4+z,3/4-y,1/4-x
+1/4+z,1/4+y,1/4+x
+1/4-z,1/4+y,3/4-x
+1/4+y,3/4-x,1/4-z
+3/4-y,3/4+x,1/4-z
+1/4+y,1/4+x,1/4+z
+1/4-y,3/4-x,3/4+z
 +(1/2,1/2,1/2)
 
 221 Pm-3m
@@ -3756,80 +4986,80 @@ z,-y,x
 y,-x,z
 -y,-x,-z
 y,x,-z
-2-x,2-y,2-z
-2-x,2y,2z
-2x,2-y,2z
-2x,2y,2-z
-2-z,2-x,2-y
-2z,2x,2-y
-2-z,2x,2y
-2z,2-x,2y
-2-y,2-z,2-x
-2y,2-z,2x
-2y,2z,2-x
-2-y,2z,2x
-2-x,2z,2-y
-2-x,2-z,2y
-2x,2z,2y
-2x,2-z,2-y
-2-z,2-y,2x
-2z,2-y,2-x
-2z,2y,2x
-2-z,2y,2-x
-2y,2-x,2-z
-2-y,2x,2-z
-2y,2x,2z
-2-y,2-x,2z
+1/2-x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+1/2-z,1/2-x,1/2-y
+1/2+z,1/2+x,1/2-y
+1/2-z,1/2+x,1/2+y
+1/2+z,1/2-x,1/2+y
+1/2-y,1/2-z,1/2-x
+1/2+y,1/2-z,1/2+x
+1/2+y,1/2+z,1/2-x
+1/2-y,1/2+z,1/2+x
+1/2-x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2+y
+1/2+x,1/2-z,1/2-y
+1/2-z,1/2-y,1/2+x
+1/2+z,1/2-y,1/2-x
+1/2+z,1/2+y,1/2+x
+1/2-z,1/2+y,1/2-x
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
 222 Pn-3n (-3 origin)
 x,y,z
-x,2-y,2-z
-2-x,y,2-z
-2-x,2-y,z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,1/2-y,z
 z,x,y
-2-z,2-x,y
-z,2-x,2-y
-2-z,x,2-y
+1/2-z,1/2-x,y
+z,1/2-x,1/2-y
+1/2-z,x,1/2-y
 y,z,x
-2-y,z,2-x
-2-y,2-z,x
-y,2-z,2-x
-x,2-z,y
-x,z,2-y
-2-x,2-z,2-y
-2-x,z,y
-z,y,2-x
-2-z,y,x
-2-z,2-y,2-x
-z,2-y,x
-2-y,x,z
-y,2-x,z
-2-y,2-x,2-z
-y,x,2-z
--x,-y,-z
--x,2y,2z
-2x,-y,2z
-2x,2y,-z
+1/2-y,z,1/2-x
+1/2-y,1/2-z,x
+y,1/2-z,1/2-x
+x,1/2-z,y
+x,z,1/2-y
+1/2-x,1/2-z,1/2-y
+1/2-x,z,y
+z,y,1/2-x
+1/2-z,y,x
+1/2-z,1/2-y,1/2-x
+z,1/2-y,x
+1/2-y,x,z
+y,1/2-x,z
+1/2-y,1/2-x,1/2-z
+y,x,1/2-z
+-x,-y,-z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,1/2+y,-z
 -z,-x,-y
-2z,2x,-y
--z,2x,2y
-2z,-x,2y
+1/2+z,1/2+x,-y
+-z,1/2+x,1/2+y
+1/2+z,-x,1/2+y
 -y,-z,-x
-2y,-z,2x
-2y,2z,-x
--y,2z,2x
--x,2z,-y
--x,-z,2y
-2x,2z,2y
-2x,-z,-y
--z,-y,2x
-2z,-y,-x
-2z,2y,2x
--z,2y,-x
-2y,-x,-z
--y,2x,-z
-2y,2x,2z
--y,-x,2z
+1/2+y,-z,1/2+x
+1/2+y,1/2+z,-x
+-y,1/2+z,1/2+x
+-x,1/2+z,-y
+-x,-z,1/2+y
+1/2+x,1/2+z,1/2+y
+1/2+x,-z,-y
+-z,-y,1/2+x
+1/2+z,-y,-x
+1/2+z,1/2+y,1/2+x
+-z,1/2+y,-x
+1/2+y,-x,-z
+-y,1/2+x,-z
+1/2+y,1/2+x,1/2+z
+-y,-x,1/2+z
 
 223 Pm-3n
 x,y,z
@@ -3844,18 +5074,18 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-2x,2-z,2y
-2x,2z,2-y
-2-x,2-z,2-y
-2-x,2z,2y
-2z,2y,2-x
-2-z,2y,2x
-2-z,2-y,2-x
-2z,2-y,2x
-2-y,2x,2z
-2y,2-x,2z
-2-y,2-x,2-z
-2y,2x,2-z
+1/2+x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2-y
+1/2-x,1/2+z,1/2+y
+1/2+z,1/2+y,1/2-x
+1/2-z,1/2+y,1/2+x
+1/2-z,1/2-y,1/2-x
+1/2+z,1/2-y,1/2+x
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
 -x,-y,-z
 -x,y,z
 x,-y,z
@@ -3868,18 +5098,18 @@ z,-x,y
 y,-z,x
 y,z,-x
 -y,z,x
-2-x,2z,2-y
-2-x,2-z,2y
-2x,2z,2y
-2x,2-z,2-y
-2-z,2-y,2x
-2z,2-y,2-x
-2z,2y,2x
-2-z,2y,2-x
-2y,2-x,2-z
-2-y,2x,2-z
-2y,2x,2z
-2-y,2-x,2z
+1/2-x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2+y
+1/2+x,1/2-z,1/2-y
+1/2-z,1/2-y,1/2+x
+1/2+z,1/2-y,1/2-x
+1/2+z,1/2+y,1/2+x
+1/2-z,1/2+y,1/2-x
+1/2+y,1/2-x,1/2-z
+1/2-y,1/2+x,1/2-z
+1/2+y,1/2+x,1/2+z
+1/2-y,1/2-x,1/2+z
 
 224 Pn-3m (-43m origin)
 x,y,z
@@ -3894,30 +5124,30 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-2x,2-z,2y
-2x,2z,2-y
-2-x,2-z,2-y
-2-x,2z,2y
-2z,2y,2-x
-2-z,2y,2x
-2-z,2-y,2-x
-2z,2-y,2x
-2-y,2x,2z
-2y,2-x,2z
-2-y,2-x,2-z
-2y,2x,2-z
-2-x,2-y,2-z
-2-x,2y,2z
-2x,2-y,2z
-2x,2y,2-z
-2-z,2-x,2-y
-2z,2x,2-y
-2-z,2x,2y
-2z,2-x,2y
-2-y,2-z,2-x
-2y,2-z,2x
-2y,2z,2-x
-2-y,2z,2x
+1/2+x,1/2-z,1/2+y
+1/2+x,1/2+z,1/2-y
+1/2-x,1/2-z,1/2-y
+1/2-x,1/2+z,1/2+y
+1/2+z,1/2+y,1/2-x
+1/2-z,1/2+y,1/2+x
+1/2-z,1/2-y,1/2-x
+1/2+z,1/2-y,1/2+x
+1/2-y,1/2+x,1/2+z
+1/2+y,1/2-x,1/2+z
+1/2-y,1/2-x,1/2-z
+1/2+y,1/2+x,1/2-z
+1/2-x,1/2-y,1/2-z
+1/2-x,1/2+y,1/2+z
+1/2+x,1/2-y,1/2+z
+1/2+x,1/2+y,1/2-z
+1/2-z,1/2-x,1/2-y
+1/2+z,1/2+x,1/2-y
+1/2-z,1/2+x,1/2+y
+1/2+z,1/2-x,1/2+y
+1/2-y,1/2-z,1/2-x
+1/2+y,1/2-z,1/2+x
+1/2+y,1/2+z,1/2-x
+1/2-y,1/2+z,1/2+x
 -x,z,-y
 -x,-z,y
 x,z,y
@@ -3933,53 +5163,53 @@ y,x,z
 
 224 Pn-3m (-3m origin)
 x,y,z
-x,2-y,2-z
-2-x,y,2-z
-2-x,2-y,z
+x,1/2-y,1/2-z
+1/2-x,y,1/2-z
+1/2-x,1/2-y,z
 z,x,y
-2-z,2-x,y
-z,2-x,2-y
-2-z,x,2-y
+1/2-z,1/2-x,y
+z,1/2-x,1/2-y
+1/2-z,x,1/2-y
 y,z,x
-2-y,z,2-x
-2-y,2-z,x
-y,2-z,2-x
-2x,-z,2y
-2x,2z,-y
+1/2-y,z,1/2-x
+1/2-y,1/2-z,x
+y,1/2-z,1/2-x
+1/2+x,-z,1/2+y
+1/2+x,1/2+z,-y
 -x,-z,-y
--x,2z,2y
-2z,2y,-x
--z,2y,2x
+-x,1/2+z,1/2+y
+1/2+z,1/2+y,-x
+-z,1/2+y,1/2+x
 -z,-y,-x
-2z,-y,2x
--y,2x,2z
-2y,-x,2z
+1/2+z,-y,1/2+x
+-y,1/2+x,1/2+z
+1/2+y,-x,1/2+z
 -y,-x,-z
-2y,2x,-z
+1/2+y,1/2+x,-z
 -x,-y,-z
--x,2y,2z
-2x,-y,2z
-2x,2y,-z
+-x,1/2+y,1/2+z
+1/2+x,-y,1/2+z
+1/2+x,1/2+y,-z
 -z,-x,-y
-2z,2x,-y
--z,2x,2y
-2z,-x,2y
+1/2+z,1/2+x,-y
+-z,1/2+x,1/2+y
+1/2+z,-x,1/2+y
 -y,-z,-x
-2y,-z,2x
-2y,2z,-x
--y,2z,2x
-2-x,z,2-y
-2-x,2-z,y
+1/2+y,-z,1/2+x
+1/2+y,1/2+z,-x
+-y,1/2+z,1/2+x
+1/2-x,z,1/2-y
+1/2-x,1/2-z,y
 x,z,y
-x,2-z,2-y
-2-z,2-y,x
-z,2-y,2-x
+x,1/2-z,1/2-y
+1/2-z,1/2-y,x
+z,1/2-y,1/2-x
 z,y,x
-2-z,y,2-x
-y,2-x,2-z
-2-y,x,2-z
+1/2-z,y,1/2-x
+y,1/2-x,1/2-z
+1/2-y,x,1/2-z
 y,x,z
-2-y,2-x,z
+1/2-y,1/2-x,z
 
 225 Fm-3m
 x,y,z
@@ -4045,18 +5275,18 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-x,-z,2y
-x,z,2-y
--x,-z,2-y
--x,z,2y
-z,y,2-x
--z,y,2x
--z,-y,2-x
-z,-y,2x
--y,x,2z
-y,-x,2z
--y,-x,2-z
-y,x,2-z
+x,-z,1/2+y
+x,z,1/2-y
+-x,-z,1/2-y
+-x,z,1/2+y
+z,y,1/2-x
+-z,y,1/2+x
+-z,-y,1/2-x
+z,-y,1/2+x
+-y,x,1/2+z
+y,-x,1/2+z
+-y,-x,1/2-z
+y,x,1/2-z
 -x,-y,-z
 -x,y,z
 x,-y,z
@@ -4069,18 +5299,18 @@ z,-x,y
 y,-z,x
 y,z,-x
 -y,z,x
--x,z,2-y
--x,-z,2y
-x,z,2y
-x,-z,2-y
--z,-y,2x
-z,-y,2-x
-z,y,2x
--z,y,2-x
-y,-x,2-z
--y,x,2-z
-y,x,2z
--y,-x,2z
+-x,z,1/2-y
+-x,-z,1/2+y
+x,z,1/2+y
+x,-z,1/2-y
+-z,-y,1/2+x
+z,-y,1/2-x
+z,y,1/2+x
+-z,y,1/2-x
+y,-x,1/2-z
+-y,x,1/2-z
+y,x,1/2+z
+-y,-x,1/2+z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 227 Fd-3m (-43m origin)
@@ -4096,30 +5326,30 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-4x,4-z,4y
-4x,4z,4-y
-4-x,4-z,4-y
-4-x,4z,4y
-4z,4y,4-x
-4-z,4y,4x
-4-z,4-y,4-x
-4z,4-y,4x
-4-y,4x,4z
-4y,4-x,4z
-4-y,4-x,4-z
-4y,4x,4-z
-4-x,4-y,4-z
-4-x,4y,4z
-4x,4-y,4z
-4x,4y,4-z
-4-z,4-x,4-y
-4z,4x,4-y
-4-z,4x,4y
-4z,4-x,4y
-4-y,4-z,4-x
-4y,4-z,4x
-4y,4z,4-x
-4-y,4z,4x
+1/4+x,1/4-z,1/4+y
+1/4+x,1/4+z,1/4-y
+1/4-x,1/4-z,1/4-y
+1/4-x,1/4+z,1/4+y
+1/4+z,1/4+y,1/4-x
+1/4-z,1/4+y,1/4+x
+1/4-z,1/4-y,1/4-x
+1/4+z,1/4-y,1/4+x
+1/4-y,1/4+x,1/4+z
+1/4+y,1/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+1/4+y,1/4+x,1/4-z
+1/4-x,1/4-y,1/4-z
+1/4-x,1/4+y,1/4+z
+1/4+x,1/4-y,1/4+z
+1/4+x,1/4+y,1/4-z
+1/4-z,1/4-x,1/4-y
+1/4+z,1/4+x,1/4-y
+1/4-z,1/4+x,1/4+y
+1/4+z,1/4-x,1/4+y
+1/4-y,1/4-z,1/4-x
+1/4+y,1/4-z,1/4+x
+1/4+y,1/4+z,1/4-x
+1/4-y,1/4+z,1/4+x
 -x,z,-y
 -x,-z,y
 x,z,y
@@ -4136,53 +5366,53 @@ y,x,z
 
 227 Fd-3m (-3 origin)
 x,y,z
-x,4-y,4-z
-4-x,y,4-z
-4-x,4-y,z
+x,1/4-y,1/4-z
+1/4-x,y,1/4-z
+1/4-x,1/4-y,z
 z,x,y
-4-z,4-x,y
-z,4-x,4-y
-4-z,x,4-y
+1/4-z,1/4-x,y
+z,1/4-x,1/4-y
+1/4-z,x,1/4-y
 y,z,x
-4-y,z,4-x
-4-y,4-z,x
-y,4-z,4-x
-4x,-z,4y
-4x,4z,-y
+1/4-y,z,1/4-x
+1/4-y,1/4-z,x
+y,1/4-z,1/4-x
+1/4+x,-z,1/4+y
+1/4+x,1/4+z,-y
 -x,-z,-y
--x,4z,4y
-4z,4y,-x
--z,4y,4x
+-x,1/4+z,1/4+y
+1/4+z,1/4+y,-x
+-z,1/4+y,1/4+x
 -z,-y,-x
-4z,-y,4x
--y,4x,4z
-4y,-x,4z
+1/4+z,-y,1/4+x
+-y,1/4+x,1/4+z
+1/4+y,-x,1/4+z
 -y,-x,-z
-4y,4x,-z
+1/4+y,1/4+x,-z
 -x,-y,-z
--x,4y,4z
-4x,-y,4z
-4x,4y,-z
+-x,1/4+y,1/4+z
+1/4+x,-y,1/4+z
+1/4+x,1/4+y,-z
 -z,-x,-y
-4z,4x,-y
--z,4x,4y
-4z,-x,4y
+1/4+z,1/4+x,-y
+-z,1/4+x,1/4+y
+1/4+z,-x,1/4+y
 -y,-z,-x
-4y,-z,4x
-4y,4z,-x
--y,4z,4x
-4-x,z,4-y
-4-x,4-z,y
+1/4+y,-z,1/4+x
+1/4+y,1/4+z,-x
+-y,1/4+z,1/4+x
+1/4-x,z,1/4-y
+1/4-x,1/4-z,y
 x,z,y
-x,4-z,4-y
-4-z,4-y,x
-z,4-y,4-x
+x,1/4-z,1/4-y
+1/4-z,1/4-y,x
+z,1/4-y,1/4-x
 z,y,x
-4-z,y,4-x
-y,4-x,4-z
-4-y,x,4-z
+1/4-z,y,1/4-x
+y,1/4-x,1/4-z
+1/4-y,x,1/4-z
 y,x,z
-4-y,4-x,z
+1/4-y,1/4-x,z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 228 Fd-3c (23 origin)
@@ -4198,93 +5428,93 @@ y,z,x
 -y,z,-x
 -y,-z,x
 y,-z,-x
-4x,4-z,4y
-4x,4z,4-y
-4-x,4-z,4-y
-4-x,4z,4y
-4z,4y,4-x
-4-z,4y,4x
-4-z,4-y,4-x
-4z,4-y,4x
-4-y,4x,4z
-4y,4-x,4z
-4-y,4-x,4-z
-4y,4x,4-z
-4-x,4-y,34-z
-4-x,4-y,34z
-4x,4-y,34z
-4x,4y,34-z
-4-z,4-x,34-y
-4z,4x,34-y
-4-z,4x,34y
-4z,4-x,34y
-4-y,4-z,34-x
-4y,4-z,34x
-4y,4z,34-x
-4-y,4z,34x
--x,z,2-y
--x,-z,2y
-x,z,2y
-x,-z,2-y
--z,-y,2x
-z,-y,2-x
-z,y,2x
--z,y,2-x
-y,-x,2-z
--y,x,2-z
-y,x,2z
--y,-x,2z
+1/4+x,1/4-z,1/4+y
+1/4+x,1/4+z,1/4-y
+1/4-x,1/4-z,1/4-y
+1/4-x,1/4+z,1/4+y
+1/4+z,1/4+y,1/4-x
+1/4-z,1/4+y,1/4+x
+1/4-z,1/4-y,1/4-x
+1/4+z,1/4-y,1/4+x
+1/4-y,1/4+x,1/4+z
+1/4+y,1/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+1/4+y,1/4+x,1/4-z
+1/4-x,1/4-y,3/4-z
+1/4-x,1/4+y,3/4+z
+1/4+x,1/4-y,3/4+z
+1/4+x,1/4+y,3/4-z
+1/4-z,1/4-x,3/4-y
+1/4+z,1/4+x,3/4-y
+1/4-z,1/4+x,3/4+y
+1/4+z,1/4-x,3/4+y
+1/4-y,1/4-z,3/4-x
+1/4+y,1/4-z,3/4+x
+1/4+y,1/4+z,3/4-x
+1/4-y,1/4+z,3/4+x
+-x,z,1/2-y
+-x,-z,1/2+y
+x,z,1/2+y
+x,-z,1/2-y
+-z,-y,1/2+x
+z,-y,1/2-x
+z,y,1/2+x
+-z,y,1/2-x
+y,-x,1/2-z
+-y,x,1/2-z
+y,x,1/2+z
+-y,-x,1/2+z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 228 Fd-3c (-3 origin)
 x,y,z
-x,4-y,4-z
-4-x,y,4-z
-4-x,4-y,z
+x,1/4-y,1/4-z
+1/4-x,y,1/4-z
+1/4-x,1/4-y,z
 z,x,y
-4-z,4-x,y
-z,4-x,4-y
-4-z,x,4-y
+1/4-z,1/4-x,y
+z,1/4-x,1/4-y
+1/4-z,x,1/4-y
 y,z,x
-4-y,z,4-x
-4-y,4-z,x
-y,4-z,4-x
-4x,-z,34y
-4x,34z,-y
--x,-z,2-y
--x,4z,34y
-4z,34y,-x
--z,4y,34x
--z,-y,2-x
-4z,-y,34x
--y,4x,34z
-4y,-x,34z
--y,-x,2-z
-4y,34x,-z
--x,-y,-z
--x,4y,4z
-4x,-y,4z
-4x,4y,-z
+1/4-y,z,1/4-x
+1/4-y,1/4-z,x
+y,1/4-z,1/4-x
+1/4+x,-z,3/4+y
+1/4+x,3/4+z,-y
+-x,-z,1/2-y
+-x,1/4+z,3/4+y
+1/4+z,3/4+y,-x
+-z,1/4+y,3/4+x
+-z,-y,1/2-x
+1/4+z,-y,3/4+x
+-y,1/4+x,3/4+z
+1/4+y,-x,3/4+z
+-y,-x,1/2-z
+1/4+y,3/4+x,-z
+-x,-y,-z
+-x,1/4+y,1/4+z
+1/4+x,-y,1/4+z
+1/4+x,1/4+y,-z
 -z,-x,-y
-4z,4x,-y
--z,4x,4y
-4z,-x,4y
+1/4+z,1/4+x,-y
+-z,1/4+x,1/4+y
+1/4+z,-x,1/4+y
 -y,-z,-x
-4y,-z,4x
-4y,4z,-x
--y,4z,4x
-4-x,z,34-y
-4-x,34-z,y
-x,z,2y
-x,2-z,34-y
-4-z,34-y,x
-z,4-y,34-x
-z,y,2x
-4-z,y,34-x
-y,4-x,34-z
-4-y,x,34-z
-y,x,2z
-4-y,34-x,z
+1/4+y,-z,1/4+x
+1/4+y,1/4+z,-x
+-y,1/4+z,1/4+x
+1/4-x,z,3/4-y
+1/4-x,3/4-z,y
+x,z,1/2+y
+x,1/4-z,3/4-y
+1/4-z,3/4-y,x
+z,1/4-y,3/4-x
+z,y,1/2+x
+1/4-z,y,3/4-x
+y,1/4-x,3/4-z
+1/4-y,x,3/4-z
+y,x,1/2+z
+1/4-y,3/4-x,z
 +(0,1/2,1/2),(1/2,0,1/2),(1/2,1/2,0)
 
 229 Im-3m
@@ -4340,52 +5570,52 @@ y,x,z
 
 230 Ia-3d
 x,y,z
-x,-y,2-z
-2-x,y,-z
--x,2-y,z
+x,-y,1/2-z
+1/2-x,y,-z
+-x,1/2-y,z
 z,x,y
--z,2-x,y
-z,-x,2-y
-2-z,x,-y
+-z,1/2-x,y
+z,-x,1/2-y
+1/2-z,x,-y
 y,z,x
-2-y,z,-x
--y,2-z,x
-y,-z,2-x
-4x,4-z,34y
-4x,34z,34-y
-4-x,4-z,4-y
-34-x,4z,34y
-4z,34y,34-x
-4-z,34y,4x
-4-z,4-y,4-x
-34z,34-y,4x
-34-y,4x,34z
-34y,34-x,4z
-4-y,4-x,4-z
-34y,4x,4-z
--x,-y,-z
--x,y,2z
-2x,-y,z
-x,2y,-z
+1/2-y,z,-x
+-y,1/2-z,x
+y,-z,1/2-x
+1/4+x,1/4-z,3/4+y
+1/4+x,3/4+z,3/4-y
+1/4-x,1/4-z,1/4-y
+3/4-x,1/4+z,3/4+y
+1/4+z,3/4+y,3/4-x
+1/4-z,3/4+y,1/4+x
+1/4-z,1/4-y,1/4-x
+3/4+z,3/4-y,1/4+x
+3/4-y,1/4+x,3/4+z
+3/4+y,3/4-x,1/4+z
+1/4-y,1/4-x,1/4-z
+3/4+y,1/4+x,1/4-z
+-x,-y,-z
+-x,y,1/2+z
+1/2+x,-y,z
+x,1/2+y,-z
 -z,-x,-y
-z,2x,-y
--z,x,2y
-2z,-x,y
+z,1/2+x,-y
+-z,x,1/2+y
+1/2+z,-x,y
 -y,-z,-x
-2y,-z,x
-y,2z,-x
--y,z,2x
-4-x,4z,34-y
-4-x,34-z,34y
-4x,4z,4y
-34x,4-z,34-y
-4-z,34-y,34x
-4z,34-y,4-x
-4z,4y,4x
-34-z,34y,4-x
-34y,4-x,34-z
-34-y,34x,4-z
-4y,4x,4z
-34-y,4-x,4z
+1/2+y,-z,x
+y,1/2+z,-x
+-y,z,1/2+x
+1/4-x,1/4+z,3/4-y
+1/4-x,3/4-z,3/4+y
+1/4+x,1/4+z,1/4+y
+3/4+x,1/4-z,3/4-y
+1/4-z,3/4-y,3/4+x
+1/4+z,3/4-y,1/4-x
+1/4+z,1/4+y,1/4+x
+3/4-z,3/4+y,1/4-x
+3/4+y,1/4-x,3/4-z
+3/4-y,3/4+x,1/4-z
+1/4+y,1/4+x,1/4+z
+3/4-y,1/4-x,1/4+z
 +(1/2,1/2,1/2)
 

diff --git a/wxSources/MoleculeView.cpp b/wxSources/MoleculeView.cpp
index ebcbaca..a9a5f19 100755 (executable)
--- a/wxSources/MoleculeView.cpp
+++ b/wxSources/MoleculeView.cpp
@@ -436,6 +436,7 @@ MoleculeView::CaptureGLCanvas(float scale)
 
                //  Create OpenGL offscreen buffer
                GLuint frame_buf, render_buf, depth_buf;
+               frame_buf = render_buf = depth_buf = 0;
                glGenFramebuffersEXT(1, &frame_buf);
                glBindFramebufferEXT(GL_FRAMEBUFFER_EXT, frame_buf);
                

diff --git a/wxSources/MyApp.cpp b/wxSources/MyApp.cpp
index dcb6dff..7d53448 100755 (executable)
--- a/wxSources/MyApp.cpp
+++ b/wxSources/MyApp.cpp
@@ -375,6 +375,7 @@ MyApp::CreateMenuBar(int kind, wxMenu **out_file_history_menu, wxMenu **out_edit
        file_menu->AppendSeparator();
        file_menu->Append(myMenuID_Import, _T("Import..."));    
        file_menu->Append(myMenuID_Export, _T("Export..."));    
+       file_menu->Append(myMenuID_ExportGraphic, _T("Export Graphic..."));     
        
        file_menu->AppendSeparator();
        file_menu->Append(wxID_PRINT, _T("&Print...\tCtrl-P"));
@@ -1971,3 +1972,12 @@ void MyAppCallback_stopSound(void)
 {
        wxSound::Stop();
 }
+
+void MyAppCallback_initImageHandlers(void)
+{
+       static bool handlers_init = false;
+       if (!handlers_init) {
+               wxInitAllImageHandlers();
+               handlers_init = true;
+       }
+}

diff --git a/wxSources/MyApp.h b/wxSources/MyApp.h
index ce5e008..eb52684 100755 (executable)
--- a/wxSources/MyApp.h
+++ b/wxSources/MyApp.h
@@ -60,18 +60,19 @@ enum {
        myMenuID_MyFirstMenuItem = 100,
        myMenuID_Import = 101,
        myMenuID_Export = 102,
-       myMenuID_SelectFragment = 103,
-       myMenuID_SelectReverse = 104,
-       myMenuID_CreateNewAtom = 105,
-       myMenuID_CreateNewParameter = 106,
-       myMenuID_CreateNewVdwParameter = 107,
-       myMenuID_CreateNewBondParameter = 108,
-       myMenuID_CreateNewAngleParameter = 109,
-       myMenuID_CreateNewDihedralParameter = 110,
-       myMenuID_CreateNewImproperParameter = 111,
-       myMenuID_CreateNewVdwPairParameter = 112,
-       myMenuID_CreateNewVdwCutoffParameter = 113,
-       myMenuID_CreatePiAnchor = 114,
+       myMenuID_ExportGraphic = 103,
+       myMenuID_SelectFragment = 104,
+       myMenuID_SelectReverse = 105,
+       myMenuID_CreateNewAtom = 106,
+       myMenuID_CreateNewParameter = 107,
+       myMenuID_CreateNewVdwParameter = 108,
+       myMenuID_CreateNewBondParameter = 109,
+       myMenuID_CreateNewAngleParameter = 110,
+       myMenuID_CreateNewDihedralParameter = 111,
+       myMenuID_CreateNewImproperParameter = 112,
+       myMenuID_CreateNewVdwPairParameter = 113,
+       myMenuID_CreateNewVdwCutoffParameter = 114,
+       myMenuID_CreatePiAnchor = 115,
        myMenuID_AddHydrogen = 120,
        myMenuID_AddHydrogenSp3 = 121,
        myMenuID_AddHydrogenSp2 = 122,

diff --git a/wxSources/MyDocument.cpp b/wxSources/MyDocument.cpp
index 164ae3d..7dc5f17 100755 (executable)
--- a/wxSources/MyDocument.cpp
+++ b/wxSources/MyDocument.cpp
@@ -70,6 +70,7 @@ BEGIN_EVENT_TABLE(MyDocument, wxDocument)
        EVT_COMMAND(MyDocumentEvent_threadTerminated, MyDocumentEvent, MyDocument::OnSubThreadTerminated)
        EVT_MENU(myMenuID_Import, MyDocument::OnImport)
        EVT_MENU(myMenuID_Export, MyDocument::OnExport)
+       EVT_MENU(myMenuID_ExportGraphic, MyDocument::OnExportGraphic)
        EVT_MENU(wxID_COPY, MyDocument::OnCopy)
        EVT_MENU(wxID_PASTE, MyDocument::OnPaste)
        EVT_MENU(wxID_CUT, MyDocument::OnCut)
@@ -358,6 +359,34 @@ MyDocument::OnExport(wxCommandEvent& event)
 }
 
 void
+MyDocument::OnExportGraphic(wxCommandEvent& event)
+{
+       wxString wildcard = _T("PNG File (*.png)|*.png|TIFF File (*.tif)|*.tif|All Files (*.*)|*.*");
+       wxFileName fname(GetFilename());
+       wxString fnstr;
+       int i;
+       GetPrintableName(fnstr);
+       if ((i = fnstr.Find('.', true)) != wxNOT_FOUND) {
+               fnstr = fnstr.Mid(0, i);
+       }
+       wxFileDialog *dialog = new wxFileDialog(NULL, _T("Export Graphic"), fname.GetPath(), fnstr + _T(".png"), wildcard, wxFD_SAVE | wxFD_OVERWRITE_PROMPT | wxFD_CHANGE_DIR);
+       if (dialog->ShowModal() == wxID_OK) {
+               wxString fnpath = dialog->GetPath();
+               MoleculeView *myview = (MoleculeView *)GetFirstView();
+               float scale = 4.0;
+               wxImage *img = myview->CaptureGLCanvas(scale);
+               wxString ext = fnpath.AfterLast('.');
+               wxBitmapType type = wxBITMAP_TYPE_PNG;
+               if (ext.CmpNoCase(_T("tif")) == 0)
+                       type = wxBITMAP_TYPE_TIF;
+               MyAppCallback_initImageHandlers();
+               img->SaveFile(fnpath, type);
+               delete img;
+       }
+       dialog->Destroy();
+}
+
+void
 MyDocument::SetUndoEnabled(bool flag)
 {
        if (flag) {
@@ -428,7 +457,7 @@ MyDocument::CleanUndoStack(bool shouldRegister)
                if (shouldRegister) {
                        MyCommand *cmd = (MyCommand *)currentCommand;
                        if (cmd == NULL)
-                               cmd = new MyCommand(mol);
+                               cmd = new MyCommand(mol, _T(" "));
                        if (isUndoing)
                                cmd->SetRedoActions(undoStack, countUndoStack);
                        else

diff --git a/wxSources/MyDocument.h b/wxSources/MyDocument.h
index 6c7c37a..3261976 100755 (executable)
--- a/wxSources/MyDocument.h
+++ b/wxSources/MyDocument.h
@@ -93,6 +93,7 @@ public:
        void    OnDocumentModified(wxCommandEvent& event);
        void    OnImport(wxCommandEvent& event);
        void    OnExport(wxCommandEvent& event);
+       void    OnExportGraphic(wxCommandEvent &event);
 
        void    OnCopy(wxCommandEvent& event);
        void    OnCut(wxCommandEvent& event);

diff --git a/wxSources/RubyDialogFrame.cpp b/wxSources/RubyDialogFrame.cpp
index 45390cc..1527d0a 100644 (file)
--- a/wxSources/RubyDialogFrame.cpp
+++ b/wxSources/RubyDialogFrame.cpp
@@ -1636,11 +1636,7 @@ RubyDialogCallback_saveBitmapToFile(RDBitmap *bitmap, const char *fname)
 {
        int len = strlen(fname);
        wxBitmapType type = wxBITMAP_TYPE_PNG;
-       static bool handlers_init = false;
-       if (!handlers_init) {
-               wxInitAllImageHandlers();
-               handlers_init = true;
-       }
+       MyAppCallback_initImageHandlers();
        if (len >= 4) {
                if (strcasecmp(fname + len - 4, ".png") == 0)
                        type = wxBITMAP_TYPE_PNG;