From NWChem
group number = 101
group name = P4_2cm
crystal system = Tetragonal
setting number = 1
number of symmetry operators = 8
+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,+z
+y,+x,+z
= operator 1 =
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 2 =
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 3 =
0.0 -1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 4 =
0.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 5 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 6 =
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 7 =
0.0 -1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 8 =
0.0 1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.0
