From NWChem
group number = 91
group name = P4_122
crystal system = Tetragonal
setting number = 1
number of symmetry operators = 8
+x,+y,+z
-x,-y,+z+1/2
-y,+x,+z+1/4
+y,-x,+z+3/4
-x,+y,-z
+x,-y,-z+1/2
+y,+x,-z+3/4
-y,-x,-z+1/4
= 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 0.5
= operator 3 =
0.0 -1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.25
= operator 4 =
0.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.75
= operator 5 =
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= 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 0.75
= operator 8 =
0.0 -1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.25
