! ! This macro file contains space group symmetry operators. ! The symmetry operator files in TNT program package was used as the ! template when this file was made. ! example: to define a space group p3121, type ! parameter sg = p3121 ! @sg setenv -s echo 0 setenv -s maxerr 1 exit cell symmetry initialize goto $(sg) C2: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, -z ! 2* (ord= 2) goto endc C222: ! c222 orthorhombic pat sym:c m m m neq=4 s.g.no:21 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) goto endc C2221: ! c2221 orthorhombic pat sym:c m m m neq=4 s.g.no:20 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y, -z+1/2 ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm x+1/2, +y+1/2, +z ! 5* (ord= 2) symm -x+1/2, -y+1/2, +z+1/2 ! 6 (ord= 2) s( 2)s( 5) symm -x+1/2, +y+1/2, -z+1/2 ! 7 (ord= 2) s( 3)s( 5) symm x+1/2, -y+1/2, -z ! 8 (ord= 2) s( 2)s( 7) goto endc C2B: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, -z ! 2* (ord= 2) goto endc C2C: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) goto endc C2OVRM: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto endc C2OVRMA: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, +z ! 2* (ord= 2) symm x, -y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto endc C2OVRMB: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto endc C2OVRMC: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm x, +y, -z ! 2* (ord= 2) symm -x, -y, +z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto endc CMMM: ! c2 monoclinic pat sym: c12/m 1 neq=2 s.g.no:5 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -x, -y, -z ! 5* (ord= 2) symm x, +y, -z ! 6 (ord= 2) symm x, -y, +z ! 7 (ord= 2) symm -x, +y, +z ! 8 (ord= 2) goto endc F222: ! f222 orthorhombic pat sym:f m m m neq=4 s.g.no:22 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) goto endf F23: ! f23 cubic pat sym: f m 3b neq=12 s.g.no:196 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) goto endf F4132: ! f4132 cubic pat sym: f m 3b m neq=24 s.g.no:210 symm x, +y, +z ! 1 (ord= 1) symm -x, -y+1/2, +z+1/2 ! 2 (ord= 2) symm -x+1/2, +y+1/2, -z ! 3 (ord= 2) symm x+1/2, -y, -z+1/2 ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x, -y+1/2 ! 6 (ord= 3) symm -z, -x+1/2, +y+1/2 ! 7 (ord= 3) symm -z+1/2, x+1/2, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y+1/2, +z+1/2, -x !10 (ord= 3) symm +y+1/2, -z, -x+1/2 !11 (ord= 3) symm -y, -z+1/2, x+1/2 !12 (ord= 3) symm +y+3/4, x+1/4, -z+3/4 !13* (ord= 2) symm -y+1/4, -x+1/4, -z+1/4 !14 (ord= 2) symm +y+1/4, -x+3/4, +z+3/4 !15* (ord= 4) symm -y+3/4, x+3/4, +z+1/4 !16 (ord= 4) symm x+3/4, +z+1/4, -y+3/4 !17 (ord= 4) symm -x+3/4, +z+3/4, +y+1/4 !18 (ord= 2) symm -x+1/4, -z+1/4, -y+1/4 !19 (ord= 2) symm x+1/4, -z+3/4, +y+3/4 !20 (ord= 4) symm +z+3/4, +y+1/4, -x+3/4 !21 (ord= 4) symm +z+1/4, -y+3/4, x+3/4 !22 (ord= 2) symm -z+3/4, +y+3/4, x+1/4 !23 (ord= 4) symm -z+1/4, -y+1/4, -x+1/4 !24 (ord= 2) goto endf F432: ! f432 cubic pat sym: f m 3b m neq=24 s.g. : 209 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm +y, x, -z !13* (ord= 2) symm -y, -x, -z !14 (ord= 2) symm +y, -x, +z !15* (ord= 4) symm -y, x, +z !16 (ord= 4) symm x, +z, -y !17 (ord= 4) symm -x, +z, +y !18 (ord= 2) symm -x, -z, -y !19 (ord= 2) symm x, -z, +y !20 (ord= 4) symm +z, +y, -x !21 (ord= 4) symm +z, -y, x !22 (ord= 2) symm -z, +y, x !23 (ord= 4) symm -z, -y, -x !24 (ord= 2) goto endf FM3BAR: ! f432 cubic pat sym: f m 3b m neq=24 s.g. : 209 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5 (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm -x, -y, -z !13 (ord= 2) symm x, +y, -z !14 (ord= 2) symm x, -y, +z !15 (ord= 2) symm -x, +y, +z !16 (ord= 2) symm -z, -x, -y !17* (ord= 6) symm -z, x, +y !18 (ord= 6) symm +z, x, -y !19 (ord= 6) symm +z, -x, +y !20 (ord= 6) symm -y, -z, -x !21 (ord= 6) symm +y, -z, x !22 (ord= 6) symm -y, +z, x !23 (ord= 6) symm +y, +z, -x !24 (ord= 6) goto endf FMMM: ! f432 cubic pat sym: f m 3b m neq=24 s.g. : 209 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -x, -y, -z ! 5* (ord= 2) symm x, +y, -z ! 6 (ord= 2) symm x, -y, +z ! 7 (ord= 2) symm -x, +y, +z ! 8 (ord= 2) goto endf I212121: ! i212121 orthorhombic pat sym: i m m m neq=42 s.g.no:24 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3* (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) goto endi I213: ! i213 cubic pat sym: i m 3b neq=12 s.g.no:199 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3* (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x+1/2, -y ! 6 (ord= 3) symm -z+1/2, -x, +y+1/2 ! 7 (ord= 3) symm -z, x+1/2, -y+1/2 ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z+1/2, -x+1/2 !10 (ord= 3) symm +y+1/2, -z+1/2, -x !11 (ord= 3) symm -y+1/2, -z, x+1/2 !12 (ord= 3) goto endi I222: ! i222 orthorhombic pat sym:i m m m neq=4 s.g.no:23 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) goto endi I23: ! i23 cubic pat sym: i m 3b neq=12 s.g.no:197 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) goto endi I4: ! i4 tetragonal pat sym: i 4/m neq=4 s.g.no:79 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z ! 3* (ord= 4) symm +y, -x, +z ! 4 (ord= 4) goto endi I41: ! i41 tetragonal pat sym: i 4/m neq=4 s.g.no:80 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y+1/2, +z+1/2 ! 2 (ord= 2) symm -y, x+1/2, +z+1/4 ! 3* (ord= 4) symm +y+1/2, -x, +z+3/4 ! 4 (ord= 4) goto endi I4122: ! i4122 tetragonal pat sym:i 4/mmm neq=8 s.g.no:98 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y+1/2, +z+1/2 ! 2 (ord= 2) symm -y, x+1/2, +z+1/4 ! 3* (ord= 4) symm +y+1/2, -x, +z+3/4 ! 4 (ord= 4) symm -x+1/2, +y, -z+3/4 ! 5* (ord= 2) symm x, -y+1/2, -z+1/4 ! 6 (ord= 2) symm +y+1/2, x+1/2, -z+1/2 ! 7 (ord= 2) symm -y, -x, -z ! 8 (ord= 2) goto endi I4132: ! i4132 cubic pat sym: i m 3b m neq=24 s.g.no:214 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2 (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3 (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x+1/2, -y ! 6 (ord= 3) symm -z+1/2, -x, +y+1/2 ! 7 (ord= 3) symm -z, x+1/2, -y+1/2 ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z+1/2, -x+1/2 !10 (ord= 3) symm +y+1/2, -z+1/2, -x !11 (ord= 3) symm -y+1/2, -z, x+1/2 !12 (ord= 3) symm +y+3/4, x+1/4, -z+1/4 !13* (ord= 2) symm -y+3/4, -x+3/4, -z+3/4 !14 (ord= 2) symm +y+1/4, -x+1/4, +z+3/4 !15* (ord= 4) symm -y+1/4, x+3/4, +z+1/4 !16 (ord= 4) symm x+3/4, +z+1/4, -y+1/4 !17 (ord= 4) symm -x+1/4, +z+3/4, +y+1/4 !18 (ord= 2) symm -x+3/4, -z+3/4, -y+3/4 !19 (ord= 2) symm x+1/4, -z+1/4, +y+3/4 !20 (ord= 4) symm +z+3/4, +y+1/4, -x+1/4 !21 (ord= 4) symm +z+1/4, -y+1/4, x+3/4 !22 (ord= 2) symm -z+1/4, +y+3/4, x+1/4 !23 (ord= 4) symm -z+3/4, -y+3/4, -x+3/4 !24 (ord= 2) goto endi I422: ! i422 tetragonal pat sym:i 4/mmm neq=8 s.g.no:97 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z ! 3* (ord= 4) symm +y, -x, +z ! 4 (ord= 4) symm -x, +y, -z ! 5* (ord= 2) symm x, -y, -z ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z ! 8 (ord= 2) goto endi I432: ! i432 cubic pat sym: i m 3b m neq=24 s.g.no: 211 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm +y, x, -z !13* (ord= 2) symm -y, -x, -z !14 (ord= 2) symm +y, -x, +z !15* (ord= 4) symm -y, x, +z !16 (ord= 4) symm x, +z, -y !17 (ord= 4) symm -x, +z, +y !18 (ord= 2) symm -x, -z, -y !19 (ord= 2) symm x, -z, +y !20 (ord= 4) symm +z, +y, -x !21 (ord= 4) symm +z, -y, x !22 (ord= 2) symm -z, +y, x !23 (ord= 4) symm -z, -y, -x !24 (ord= 2) goto endi I4OVRM: ! i432 cubic pat sym: i m 3b m neq=24 s.g.no: 211 symm x, +y, +z ! 1 (ord= 1) symm -y, x, +z ! 2* (ord= 4) symm -x, -y, +z ! 3 (ord= 2) symm +y, -x, +z ! 4 (ord= 4) symm -x, -y, -z ! 5* (ord= 2) symm +y, -x, -z ! 6 (ord= 4) symm x, +y, -z ! 7 (ord= 2) symm -y, x, -z ! 8 (ord= 4) goto endi I4OVRMMM: ! i432 cubic pat sym: i m 3b m neq=24 s.g.no: 211 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -y, -x, -z ! 5 (ord= 2) symm +y, x, -z ! 6 (ord= 2) symm +y, -x, +z ! 7* (ord= 4) symm -y, x, +z ! 8 (ord= 4) symm -x, -y, -z ! 9 (ord= 2) symm x, +y, -z !10 (ord= 2) symm x, -y, +z !11 (ord= 2) symm -x, +y, +z !12 (ord= 2) symm +y, x, +z !13 (ord= 2) symm -y, -x, +z !14 (ord= 2) symm -y, x, -z !15* (ord= 4) symm +y, -x, -z !16 (ord= 4) goto endi IM3BAR: ! i432 cubic pat sym: i m 3b m neq=24 s.g.no: 211 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5 (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm -x, -y, -z !13 (ord= 2) symm x, +y, -z !14 (ord= 2) symm x, -y, +z !15 (ord= 2) symm -x, +y, +z !16 (ord= 2) symm -z, -x, -y !17* (ord= 6) symm -z, x, +y !18 (ord= 6) symm +z, x, -y !19 (ord= 6) symm +z, -x, +y !20 (ord= 6) symm -y, -z, -x !21 (ord= 6) symm +y, -z, x !22 (ord= 6) symm -y, +z, x !23 (ord= 6) symm +y, +z, -x !24 (ord= 6) goto endi IMMM: ! i432 cubic pat sym: i m 3b m neq=24 s.g.no: 211 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -x, -y, -z ! 5* (ord= 2) symm x, +y, -z ! 6 (ord= 2) symm x, -y, +z ! 7 (ord= 2) symm -x, +y, +z ! 8 (ord= 2) goto endi P1: ! p1 triclinic pat sym: p1b neq=1 s.g.no:1 symm x, +y, +z ! 1* (ord= 1) goto end P1BAR: ! p1 triclinic pat sym: p1b neq=1 s.g.no:1 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, -z ! 2* (ord= 2) goto end P2: ! p2 monoclinic pat sym: p12/m 1 neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, -z ! 2* (ord= 2) goto end P21: ! p21 monoclinic pat sym: p12/m 1 neq=2 s.g.no:4 symm x, +y, +z ! 1 (ord= 1) symm -x, +y+1/2, -z ! 2* (ord= 2) goto end P21212: ! p21212 orthorhombic pat sym:p m m m neq=4 s.g.no:18 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x+1/2, +y+1/2, -z ! 3* (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) goto end P212121: ! p212121 orthorhombic pat sym: p m m m neq=42 s.g.no:19 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3* (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) goto end P213: ! p213 cubic pat sym: p m 3b neq=12 s.g.no:198 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3* (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x+1/2, -y ! 6 (ord= 3) symm -z+1/2, -x, +y+1/2 ! 7 (ord= 3) symm -z, x+1/2, -y+1/2 ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z+1/2, -x+1/2 !10 (ord= 3) symm +y+1/2, -z+1/2, -x !11 (ord= 3) symm -y+1/2, -z, x+1/2 !12 (ord= 3) goto end P21B: ! p21 monoclinic pat sym: p12/m 1 neq=2 s.g.no:4 symm x, +y, +z ! 1 (ord= 1) symm -x, +y+1/2, -z ! 2* (ord= 2) goto end P21C: ! p21 monoclinic pat sym: p12/m 1 neq=2 s.g.no:4 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2* (ord= 2) goto end P222: ! p222 orthorhombic pat sym: m m m neq=4 s.g.no:16 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) goto end P2221: ! p2221 orthorhombic pat sym:p m m m neq=4 s.g.no:17 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2* (ord= 2) symm -x, +y, -z+1/2 ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) goto end P23: ! p23 cubic pat sym: p m 3b neq=12 s.g.no:195 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) goto end P2B: ! p2 monoclinic pat sym: p12/m 1 neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, -z ! 2* (ord= 2) goto end P2C: ! p2 monoclinic pat sym: p 1 1 2/m neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) goto end P2OVRM: ! p2 monoclinic pat sym: p 1 1 2/m neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto end P2OVRMA: ! p2 monoclinic pat sym: p 1 1 2/m neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, +z ! 2* (ord= 2) symm x, -y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto end P2OVRMB: ! p2 monoclinic pat sym: p 1 1 2/m neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto end P2OVRMC: ! p2 monoclinic pat sym: p 1 1 2/m neq=2 s.g.no:3 symm x, +y, +z ! 1 (ord= 1) symm x, +y, -z ! 2* (ord= 2) symm -x, -y, +z ! 3* (ord= 2) symm -x, -y, -z ! 4 (ord= 2) goto end P3: ! p3 trigonal pat sym: p3b neq=3 s.g.no:143 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2* (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) goto end P31: ! p31 trigonal pat sym: p3b neq=3 s.g.no:144 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2* (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) goto end P3112: ! p3112 trigonal pat sym: p 3b 1 m neq=6 s.g.no:151 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2* (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm -y, -x, -z+2/3 ! 4* (ord= 2) symm -x+y, +y, -z+1/3 ! 5 (ord= 2) symm x, x-y, -z ! 6 (ord= 2) goto end P312: ! p312 trigonal pat sym: p 3b 1 m neq=6 s.g.no:149 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2* (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -y, -x, -z ! 4* (ord= 2) symm -x+y, +y, -z ! 5 (ord= 2) symm x, x-y, -z ! 6 (ord= 2) goto end P3121: ! p3121 trigonal patterson symmetry: p 3b m 1 neq=6 s.g.no:152 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2* (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm +y, x, -z ! 4* (ord= 2) symm x-y, -y, -z+2/3 ! 5 (ord= 2) symm -x, -x+y, -z+1/3 ! 6 (ord= 2) goto end P32: ! p32 trigonal pat sym: p3b neq=3 s.g.no:145 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2* (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) goto end P321: ! p321 trigonal pat sym: p3bm1 neq=6 s.g.no:150 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2* (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm +y, x, -z ! 4* (ord= 2) symm x-y, -y, -z ! 5 (ord= 2) symm -x, -x+y, -z ! 6 (ord= 2) goto end P3212: ! p3212 trigonal pat sym: p 3b 1 m neq=6 s.g.no:153 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2* (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm -y, -x, -z+1/3 ! 4* (ord= 2) symm -x+y, +y, -z+2/3 ! 5 (ord= 2) symm x, x-y, -z ! 6 (ord= 2) goto end P3221: ! p3221 trigonal pat sym: p3bm1 neq=6 s.g.no:154 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2* (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm +y, x, -z ! 4* (ord= 2) symm x-y, -y, -z+1/3 ! 5 (ord= 2) symm -x, -x+y, -z+2/3 ! 6 (ord= 2) goto end P3BAR: ! p3221 trigonal pat sym: p3bm1 neq=6 s.g.no:154 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm +y, -x+y, -z ! 5* (ord= 6) symm x-y, x, -z ! 6 (ord= 6) goto end P3BAR1M: ! p3221 trigonal pat sym: p3bm1 neq=6 s.g.no:154 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm +y, -x+y, -z ! 5* (ord= 6) symm x-y, x, -z ! 6 (ord= 6) symm +y, x, +z ! 7* (ord= 2) symm -x, -x+y, +z ! 8 (ord= 2) symm x-y, -y, +z ! 9 (ord= 2) symm -y, -x, -z !10 (ord= 2) symm x, x-y, -z !11 (ord= 2) symm -x+y, +y, -z !12 (ord= 2) goto end P3BARM1: ! p3221 trigonal pat sym: p3bm1 neq=6 s.g.no:154 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm +y, -x+y, -z ! 5* (ord= 6) symm x-y, x, -z ! 6 (ord= 6) symm -y, -x, +z ! 7* (ord= 2) symm x, x-y, +z ! 8 (ord= 2) symm -x+y, +y, +z ! 9 (ord= 2) symm +y, x, -z !10 (ord= 2) symm -x, -x+y, -z !11 (ord= 2) symm x-y, -y, -z !12 (ord= 2) goto end P4: ! p4 tetragonal pat sym: p4/m neq=4 s.g.no:75 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z ! 3* (ord= 4) symm +y, -x, +z ! 4 (ord= 4) goto end P41: ! p41 tetragonal pat sym: p4/m neq=4 s.g.no:76 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y, x, +z+1/4 ! 3* (ord= 4) symm +y, -x, +z+3/4 ! 4 (ord= 4) goto end P41212: ! p41212 tetragonal pat sym: p 4/ m m m neq=8 s.g.no:92 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y+1/2, x+1/2, +z+1/4 ! 3* (ord= 4) symm +y+1/2, -x+1/2, +z+3/4 ! 4 (ord= 4) symm -x+1/2, +y+1/2, -z+1/4 ! 5* (ord= 2) symm x+1/2, -y+1/2, -z+3/4 ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z+1/2 ! 8 (ord= 2) goto end P4122: ! p4122 tetragonal pat sym: p4/mmm neq=8 s.g.no:91 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y, x, +z+1/4 ! 3* (ord= 4) symm +y, -x, +z+3/4 ! 4 (ord= 4) symm -x, +y, -z ! 5* (ord= 2) symm x, -y, -z+1/2 ! 6 (ord= 2) symm +y, x, -z+3/4 ! 7 (ord= 2) symm -y, -x, -z+1/4 ! 8 (ord= 2) goto end P4132: ! p4132 cubic pat sym: p m 3b m neq=24 s.g.no:213 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2 (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3 (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x+1/2, -y ! 6 (ord= 3) symm -z+1/2, -x, +y+1/2 ! 7 (ord= 3) symm -z, x+1/2, -y+1/2 ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z+1/2, -x+1/2 !10 (ord= 3) symm +y+1/2, -z+1/2, -x !11 (ord= 3) symm -y+1/2, -z, x+1/2 !12 (ord= 3) symm +y+3/4, x+1/4, -z+1/4 !13* (ord= 2) symm -y+3/4, -x+3/4, -z+3/4 !14 (ord= 2) symm +y+1/4, -x+1/4, +z+3/4 !15* (ord= 4) symm -y+1/4, x+3/4, +z+1/4 !16 (ord= 4) symm x+3/4, +z+1/4, -y+1/4 !17 (ord= 4) symm -x+1/4, +z+3/4, +y+1/4 !18 (ord= 2) symm -x+3/4, -z+3/4, -y+3/4 !19 (ord= 2) symm x+1/4, -z+1/4, +y+3/4 !20 (ord= 4) symm +z+3/4, +y+1/4, -x+1/4 !21 (ord= 4) symm +z+1/4, -y+1/4, x+3/4 !22 (ord= 2) symm -z+1/4, +y+3/4, x+1/4 !23 (ord= 4) symm -z+3/4, -y+3/4, -x+3/4 !24 (ord= 2) goto end P42: ! p42 tetragonal pat sym: p4/m neq=4 s.g.no:77 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z+1/2 ! 3* (ord= 4) symm +y, -x, +z+1/2 ! 4 (ord= 4) goto end P4212: ! p4212 tetragonal pat sym: p4/mmm neq=8 s.g.no:90 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y+1/2, x+1/2, +z ! 3* (ord= 4) symm +y+1/2, -x+1/2, +z ! 4 (ord= 4) symm -x+1/2, +y+1/2, -z ! 5* (ord= 2) symm x+1/2, -y+1/2, -z ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z ! 8 (ord= 2) goto end P422: ! p422 tetragonal pat sym: p4/mmm neq=8 s.g.no:89 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z ! 3* (ord= 4) symm +y, -x, +z ! 4 (ord= 4) symm -x, +y, -z ! 5* (ord= 2) symm x, -y, -z ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z ! 8 (ord= 2) goto end P42212: ! p42212 tetragonal pat sym: p4/mmm neq=8 s.g.no:94 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y+1/2, x+1/2, +z+1/2 ! 3* (ord= 4) symm +y+1/2, -x+1/2, +z+1/2 ! 4 (ord= 4) symm -x+1/2, +y+1/2, -z+1/2 ! 5* (ord= 2) symm x+1/2, -y+1/2, -z+1/2 ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z ! 8 (ord= 2) goto end P4222: ! p4222 tetragonal pat sym: p4/mmm neq=8 s.g.no:93 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -y, x, +z+1/2 ! 3* (ord= 4) symm +y, -x, +z+1/2 ! 4 (ord= 4) symm -x, +y, -z ! 5* (ord= 2) symm x, -y, -z ! 6 (ord= 2) symm +y, x, -z+1/2 ! 7 (ord= 2) symm -y, -x, -z+1/2 ! 8 (ord= 2) goto end P4232: ! p4232 cubic pat sym: p m 3b m neq=24 s.g.no:208 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm +y+1/2, x+1/2, -z+1/2 !13* (ord= 2) symm -y+1/2, -x+1/2, -z+1/2 !14 (ord= 2) symm +y+1/2, -x+1/2, +z+1/2 !15* (ord= 4) symm -y+1/2, x+1/2, +z+1/2 !16 (ord= 4) symm x+1/2, +z+1/2, -y+1/2 !17 (ord= 4) symm -x+1/2, +z+1/2, +y+1/2 !18 (ord= 2) symm -x+1/2, -z+1/2, -y+1/2 !19 (ord= 2) symm x+1/2, -z+1/2, +y+1/2 !20 (ord= 4) symm +z+1/2, +y+1/2, -x+1/2 !21 (ord= 4) symm +z+1/2, -y+1/2, x+1/2 !22 (ord= 2) symm -z+1/2, +y+1/2, x+1/2 !23 (ord= 4) symm -z+1/2, -y+1/2, -x+1/2 !24 (ord= 2) goto end P43: ! p43 tetragonal pat sym: p4/m neq=4 s.g.no:78 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y, x, +z+3/4 ! 3* (ord= 4) symm +y, -x, +z+1/4 ! 4 (ord= 4) goto end P432: ! p432 cubic pat sym: p m 3b m neq=24 s.g.no:207 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm +y, x, -z !13* (ord= 2) symm -y, -x, -z !14 (ord= 2) symm +y, -x, +z !15* (ord= 4) symm -y, x, +z !16 (ord= 4) symm x, +z, -y !17 (ord= 4) symm -x, +z, +y !18 (ord= 2) symm -x, -z, -y !19 (ord= 2) symm x, -z, +y !20 (ord= 4) symm +z, +y, -x !21 (ord= 4) symm +z, -y, x !22 (ord= 2) symm -z, +y, x !23 (ord= 4) symm -z, -y, -x !24 (ord= 2) goto end P43212: ! p43212 tetragonal pat sym: p4/mmm neq=8 s.g.no:96 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y+1/2, x+1/2, +z+3/4 ! 3* (ord= 4) symm +y+1/2, -x+1/2, +z+1/4 ! 4 (ord= 4) symm -x+1/2, +y+1/2, -z+3/4 ! 5* (ord= 2) symm x+1/2, -y+1/2, -z+1/4 ! 6 (ord= 2) symm +y, x, -z ! 7 (ord= 2) symm -y, -x, -z+1/2 ! 8 (ord= 2) goto end P4322: ! p4322 tetragonal pat sym: p4/mmm neq=8 s.g.no:95 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z+1/2 ! 2 (ord= 2) symm -y, x, +z+3/4 ! 3* (ord= 4) symm +y, -x, +z+1/4 ! 4 (ord= 4) symm -x, +y, -z ! 5* (ord= 2) symm x, -y, -z+1/2 ! 6 (ord= 2) symm +y, x, -z+1/4 ! 7 (ord= 2) symm -y, -x, -z+3/4 ! 8 (ord= 2) goto end P4332: ! p4332 cubic pat sym: p m 3b m neq=24 s.g.no:212 symm x, +y, +z ! 1 (ord= 1) symm -x+1/2, -y, +z+1/2 ! 2 (ord= 2) symm -x, +y+1/2, -z+1/2 ! 3 (ord= 2) symm x+1/2, -y+1/2, -z ! 4 (ord= 2) symm +z, x, +y ! 5* (ord= 3) symm +z+1/2, -x+1/2, -y ! 6 (ord= 3) symm -z+1/2, -x, +y+1/2 ! 7 (ord= 3) symm -z, x+1/2, -y+1/2 ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z+1/2, -x+1/2 !10 (ord= 3) symm +y+1/2, -z+1/2, -x !11 (ord= 3) symm -y+1/2, -z, x+1/2 !12 (ord= 3) symm +y+1/4, x+3/4, -z+3/4 !13* (ord= 2) symm -y+1/4, -x+1/4, -z+1/4 !14 (ord= 2) symm +y+3/4, -x+3/4, +z+1/4 !15* (ord= 4) symm -y+3/4, x+1/4, +z+3/4 !16 (ord= 4) symm x+1/4, +z+3/4, -y+3/4 !17 (ord= 4) symm -x+3/4, +z+1/4, +y+3/4 !18 (ord= 2) symm -x+1/4, -z+1/4, -y+1/4 !19 (ord= 2) symm x+3/4, -z+3/4, +y+1/4 !20 (ord= 4) symm +z+1/4, +y+3/4, -x+3/4 !21 (ord= 4) symm +z+3/4, -y+3/4, x+1/4 !22 (ord= 2) symm -z+3/4, +y+1/4, x+3/4 !23 (ord= 4) symm -z+1/4, -y+1/4, -x+1/4 !24 (ord= 2) goto end P4OVRM: ! p4332 cubic pat sym: p m 3b m neq=24 s.g.no:212 symm x, +y, +z ! 1 (ord= 1) symm -y, x, +z ! 2* (ord= 4) symm -x, -y, +z ! 3 (ord= 2) symm +y, -x, +z ! 4 (ord= 4) symm -x, -y, -z ! 5* (ord= 2) symm +y, -x, -z ! 6 (ord= 4) symm x, +y, -z ! 7 (ord= 2) symm -y, x, -z ! 8 (ord= 4) goto end P4OVRMMM: ! p4332 cubic pat sym: p m 3b m neq=24 s.g.no:212 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm -x, +y, -z ! 3 (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -y, -x, -z ! 5 (ord= 2) symm +y, x, -z ! 6 (ord= 2) symm +y, -x, +z ! 7* (ord= 4) symm -y, x, +z ! 8 (ord= 4) symm -x, -y, -z ! 9 (ord= 2) symm x, +y, -z !10 (ord= 2) symm x, -y, +z !11 (ord= 2) symm -x, +y, +z !12 (ord= 2) symm +y, x, +z !13 (ord= 2) symm -y, -x, +z !14 (ord= 2) symm -y, x, -z !15* (ord= 4) symm +y, -x, -z !16 (ord= 4) goto end P6: ! p6 hexagonal pat sym: p6/m neq=6 s.g.no:168 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z ! 5* (ord= 6) symm x-y, x, +z ! 6 (ord= 6) goto end P61: ! p61 hexagonal pat sym: p6/m neq=6 s.g.no:169 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2 (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+5/6 ! 5* (ord= 6) symm x-y, x, +z+1/6 ! 6 (ord= 6) goto end P6122: ! p6122 hexagonal pat sym: p6/m m m neq=12 s.g.no:178" symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2 (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+5/6 ! 5* (ord= 6) symm x-y, x, +z+1/6 ! 6 (ord= 6) symm +y, x, -z+1/3 ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z+2/3 ! 9 (ord= 2) symm -y, -x, -z+5/6 !10 (ord= 2) symm -x+y, +y, -z+1/2 !11 (ord= 2) symm x, x-y, -z+1/6 !12 (ord= 2) goto end P62: ! p62 hexagonal pat sym: p6/m neq=6 s.g.no:171 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2 (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z+2/3 ! 5* (ord= 6) symm x-y, x, +z+1/3 ! 6 (ord= 6) goto end P622: ! p622 hexagonal pat sym: p6/m m m neq=12 s.g.no:177 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z ! 5* (ord= 6) symm x-y, x, +z ! 6 (ord= 6) symm +y, x, -z ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z ! 9 (ord= 2) symm -y, -x, -z !10 (ord= 2) symm -x+y, +y, -z !11 (ord= 2) symm x, x-y, -z !12 (ord= 2) goto end P6222: ! p6222 hexagonal pat sym: p6/m m m neq=12 s.g.no:180 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2 (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z+2/3 ! 5* (ord= 6) symm x-y, x, +z+1/3 ! 6 (ord= 6) symm +y, x, -z+2/3 ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z+1/3 ! 9 (ord= 2) symm -y, -x, -z+2/3 !10 (ord= 2) symm -x+y, +y, -z !11 (ord= 2) symm x, x-y, -z+1/3 !12 (ord= 2) goto end P63: ! p63 hexagonal pat sym: p6/m neq=6 s.g.no:173 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+1/2 ! 5* (ord= 6) symm x-y, x, +z+1/2 ! 6 (ord= 6) goto end P6322: ! p6322 hexagonal pat sym: p6/m m m neq=12 s.g.no:182 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+1/2 ! 5* (ord= 6) symm x-y, x, +z+1/2 ! 6 (ord= 6) symm +y, x, -z ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z ! 9 (ord= 2) symm -y, -x, -z+1/2 !10 (ord= 2) symm -x+y, +y, -z+1/2 !11 (ord= 2) symm x, x-y, -z+1/2 !12 (ord= 2) goto end P64: ! p64 hexagonal pat sym: p6/m neq=6 s.g.no:172 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2 (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z+1/3 ! 5* (ord= 6) symm x-y, x, +z+2/3 ! 6 (ord= 6) goto end P6422: ! p6422 hexagonal pat sym: p6/m m m neq=12 s.g.no:181 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+1/3 ! 2 (ord= 3) symm -x+y, -x, +z+2/3 ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z+1/3 ! 5* (ord= 6) symm x-y, x, +z+2/3 ! 6 (ord= 6) symm +y, x, -z+1/3 ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z+2/3 ! 9 (ord= 2) symm -y, -x, -z+1/3 !10 (ord= 2) symm -x+y, +y, -z !11 (ord= 2) symm x, x-y, -z+2/3 !12 (ord= 2) goto end P65: ! p65 hexagonal pat sym: p6/m neq=6 s.g.no:170 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2 (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+1/6 ! 5* (ord= 6) symm x-y, x, +z+5/6 ! 6 (ord= 6) goto end P6522: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z+2/3 ! 2 (ord= 3) symm -x+y, -x, +z+1/3 ! 3 (ord= 3) symm -x, -y, +z+1/2 ! 4 (ord= 2) symm +y, -x+y, +z+1/6 ! 5* (ord= 6) symm x-y, x, +z+5/6 ! 6 (ord= 6) symm +y, x, -z+2/3 ! 7* (ord= 2) symm x-y, -y, -z ! 8 (ord= 2) symm -x, -x+y, -z+1/3 ! 9 (ord= 2) symm -y, -x, -z+1/6 !10 (ord= 2) symm -x+y, +y, -z+1/2 !11 (ord= 2) symm x, x-y, -z+5/6 !12 (ord= 2) goto end P6MM: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2 (ord= 2) symm x-y, x, +z ! 3* (ord= 6) symm -y, x-y, +z ! 4 (ord= 3) symm -x+y, -x, +z ! 5 (ord= 3) symm +y, -x+y, +z ! 6 (ord= 6) symm x-y, -y, -z ! 7* (ord= 2) symm -x+y, +y, -z ! 8 (ord= 2) symm -y, -x, -z ! 9 (ord= 2) symm -x, -x+y, -z !10 (ord= 2) symm +y, x, -z !11 (ord= 2) symm x, x-y, -z !12 (ord= 2) symm -x, -y, -z !13 (ord= 2) symm x, +y, -z !14 (ord= 2) symm -x+y, -x, -z !15 (ord= 6) symm +y, -x+y, -z !16 (ord= 6) symm x-y, x, -z !17 (ord= 6) symm -y, x-y, -z !18 (ord= 6) symm -x+y, +y, +z !19 (ord= 2) symm x-y, -y, +z !20 (ord= 2) symm +y, x, +z !21 (ord= 2) symm x, x-y, +z !22 (ord= 2) symm -y, -x, +z !23 (ord= 2) symm -x, -x+y, +z !24 (ord= 2) goto end P6OVRM: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, +z ! 4 (ord= 2) symm +y, -x+y, +z ! 5* (ord= 6) symm x-y, x, +z ! 6 (ord= 6) symm -x, -y, -z ! 7 (ord= 2) symm +y, -x+y, -z ! 8 (ord= 6) symm x-y, x, -z ! 9 (ord= 6) symm x, +y, -z !10 (ord= 2) symm -y, x-y, -z !11 (ord= 6) symm -x+y, -x, -z !12 (ord= 6) goto end PM: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) goto end PM3BAR: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm +z, x, +y ! 5 (ord= 3) symm +z, -x, -y ! 6 (ord= 3) symm -z, -x, +y ! 7 (ord= 3) symm -z, x, -y ! 8 (ord= 3) symm +y, +z, x ! 9 (ord= 3) symm -y, +z, -x !10 (ord= 3) symm +y, -z, -x !11 (ord= 3) symm -y, -z, x !12 (ord= 3) symm -x, -y, -z !13 (ord= 2) symm x, +y, -z !14 (ord= 2) symm x, -y, +z !15 (ord= 2) symm -x, +y, +z !16 (ord= 2) symm -z, -x, -y !17* (ord= 6) symm -z, x, +y !18 (ord= 6) symm +z, x, -y !19 (ord= 6) symm +z, -x, +y !20 (ord= 6) symm -y, -z, -x !21 (ord= 6) symm +y, -z, x !22 (ord= 6) symm -y, +z, x !23 (ord= 6) symm +y, +z, -x !24 (ord= 6) goto end PMA: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -x, +y, +z ! 2* (ord= 2) goto end PMB: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm x, -y, +z ! 2* (ord= 2) goto end PMC: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm x, +y, -z ! 2* (ord= 2) goto end PMMM: ! p6522 hexagonal pat sym: p6/m m m neq=12 s.g.no:179 symm x, +y, +z ! 1 (ord= 1) symm -x, -y, +z ! 2* (ord= 2) symm -x, +y, -z ! 3* (ord= 2) symm x, -y, -z ! 4 (ord= 2) symm -x, -y, -z ! 5* (ord= 2) symm x, +y, -z ! 6 (ord= 2) symm x, -y, +z ! 7 (ord= 2) symm -x, +y, +z ! 8 (ord= 2) goto end R3-RHOM: ! r3 trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm +z, x, +y ! 2* (ord= 3) symm +y, +z, x ! 3 (ord= 3) goto end R3: ! r3 (hexagonal axes) trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2* (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) goto end R32-RHOM: ! r32 trigonal pat sym: r3bm neq=6 s.g.no:155 symm x, +y, +z ! 1 (ord= 1) symm +z, x, +y ! 2* (ord= 3) symm +y, +z, x ! 3 (ord= 3) symm -y, -x, -z ! 4* (ord= 2) symm -x, -z, -y ! 5 (ord= 2) symm -z, -y, -x ! 6 (ord= 2) goto end R32: ! r32 (hexagonal axes) trigonal pat sym:r3bm neq=6 s.g.no:155 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2* (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm +y, x, -z ! 4* (ord= 2) symm x-y, -y, -z ! 5 (ord= 2) symm -x, -x+y, -z ! 6 (ord= 2) goto end R3BAR-RHOM: ! r3 trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm +z, x, +y ! 2 (ord= 3) symm +y, +z, x ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm -z, -x, -y ! 5* (ord= 6) symm -y, -z, -x ! 6 (ord= 6) goto end R3BAR: ! r3 trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm +y, -x+y, -z ! 5* (ord= 6) symm x-y, x, -z ! 6 (ord= 6) goto end R3BARM-RHOM: ! r3 trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm +z, x, +y ! 2 (ord= 3) symm +y, +z, x ! 3 (ord= 3) symm -y, -x, -z ! 4* (ord= 2) symm -x, -z, -y ! 5 (ord= 2) symm -z, -y, -x ! 6 (ord= 2) symm -y, -z, -x ! 7* (ord= 6) symm -x, -y, -z ! 8 (ord= 2) symm -z, -x, -y ! 9 (ord= 6) symm +y, x, +z !10 (ord= 2) symm x, +z, +y !11 (ord= 2) symm +z, +y, x !12 (ord= 2) goto end R3BARM: ! r3 trigonal pat sym: r3b neq=3 s.g.no:146 symm x, +y, +z ! 1 (ord= 1) symm -y, x-y, +z ! 2 (ord= 3) symm -x+y, -x, +z ! 3 (ord= 3) symm -x, -y, -z ! 4 (ord= 2) symm +y, -x+y, -z ! 5* (ord= 6) symm x-y, x, -z ! 6 (ord= 6) symm -y, -x, +z ! 7* (ord= 2) symm x, x-y, +z ! 8 (ord= 2) symm -x+y, +y, +z ! 9 (ord= 2) symm +y, x, -z !10 (ord= 2) symm -x, -x+y, -z !11 (ord= 2) symm x-y, -y, -z !12 (ord= 2) goto end endc: symm x+1/2, y+1/2, z @complete_sg goto end endf: symm x+1/2, y+1/2, z symm x, y+1/2, z+1/2 symm x+1/2, y, z+1/2 @complete_sg goto end endi: symm x+1/2, y+1/2, z+1/2 @complete_sg goto end end: setenv -r maxerr setenv -r echo !