### From NWChem

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group number = 61
group name = Pbca
crystal system = Orthorhombic
number of symmetry operators = 8
+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
= 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 0.5
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 3 =
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
= operator 4 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.0
= 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 0.5
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 7 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 8 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.0