@@ -28919,7 +28919,7 @@ our @EXPORT_OK = qw(
2891928919 ]
2892028920},
2892128921
28922- # The 'F 41/a d c' space group is the (a+b,-a+b,c) setting of " I 41/a c d :2"
28922+ # The 'F 41/a d c' space group is the (a+b,-a+b,c) setting of ' I 41/a c d :2'
2892328923# space group as stated in the following publication:
2892428924# Ohba, S.; Fujita, T.; Bernal, I.; "Acta Crystallographica Section C",
2892528925# 1995, 51(8), 1481-1483, 10.1107/S0108270195001521.
@@ -29019,7 +29019,7 @@ our @EXPORT_OK = qw(
2901929019
2902029020# From the AMCSD entry 0020152. Universal H-M and Hall symbols taken
2902129021# from CCTBX (http://cci.lbl.gov/cctbx/cctbx_web.cgi):
29022-
29022+
2902329023{
2902429024 number => 90,
2902529025 hall => 'P 4ab 2ab (x+1/4,y-1/4,z)',
@@ -29052,7 +29052,7 @@ our @EXPORT_OK = qw(
2905229052
2905329053# From the AMCSD entry 0020733. Universal H-M and Hall symbols taken
2905429054# from CCTBX (http://cci.lbl.gov/cctbx/cctbx_web.cgi):
29055-
29055+
2905629056{
2905729057 number => 20,
2905829058 hall => 'C 2c 2 (x,y,z-1/4)',
@@ -29116,35 +29116,35 @@ our @EXPORT_OK = qw(
2911629116 crystal_class => 'tetragonal',
2911729117 constraints => '$a == $b && $alpha == 90 && $beta == 90 && $gamma == 90',
2911829118 symops => [
29119- " x,y,z" ,
29120- " -y+1/2,x+1/2,z+1/2" ,
29121- " x,-y,-z" ,
29122- " y+1/2,x+1/2,-z+1/2" ,
29123- " -x,y,-z" ,
29124- " y+1/2,-x+1/2,z+1/2" ,
29125- " -y+1/2,-x+1/2,-z+1/2" ,
29126- " -x,-y,z" ,
29127- " -x,-y,-z" ,
29128- " y+1/2,-x+1/2,-z+1/2" ,
29129- " -x,y,z" ,
29130- " -y+1/2,-x+1/2,z+1/2" ,
29131- " x,-y,z" ,
29132- " -y+1/2,x+1/2,-z+1/2" ,
29133- " y+1/2,x+1/2,z+1/2" ,
29134- " x,y,-z"
29135- ],
29136- ncsym => [
29137- " x,y,z" ,
29138- " x,-y,-z" ,
29139- " -x,y,-z" ,
29140- " -x,-y,z" ,
29141- " -x,-y,-z" ,
29142- " -x,y,z" ,
29143- " x,-y,z" ,
29144- " x,y,-z"
29145- ]
29146- },
29147-
29119+ ' x,y,z' ,
29120+ ' -y+1/2,x+1/2,z+1/2' ,
29121+ ' x,-y,-z' ,
29122+ ' y+1/2,x+1/2,-z+1/2' ,
29123+ ' -x,y,-z' ,
29124+ ' y+1/2,-x+1/2,z+1/2' ,
29125+ ' -y+1/2,-x+1/2,-z+1/2' ,
29126+ ' -x,-y,z' ,
29127+ ' -x,-y,-z' ,
29128+ ' y+1/2,-x+1/2,-z+1/2' ,
29129+ ' -x,y,z' ,
29130+ ' -y+1/2,-x+1/2,z+1/2' ,
29131+ ' x,-y,z' ,
29132+ ' -y+1/2,x+1/2,-z+1/2' ,
29133+ ' y+1/2,x+1/2,z+1/2' ,
29134+ ' x,y,-z'
29135+ ],
29136+ ncsym => [
29137+ ' x,y,z' ,
29138+ ' x,-y,-z' ,
29139+ ' -x,y,-z' ,
29140+ ' -x,-y,z' ,
29141+ ' -x,-y,-z' ,
29142+ ' -x,y,z' ,
29143+ ' x,-y,z' ,
29144+ ' x,y,-z'
29145+ ]
29146+ },
29147+
2914829148);
2914929149
29150291501;
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