From NWChem
group number = 220
group name = I-43d
crystal system = Cubic
number of symmetry operators = 48
= 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 =
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
= operator 6 =
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.0
= operator 7 =
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
= operator 8 =
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
= operator 9 =
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.0
= operator 10 =
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
= operator 11 =
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.0
= operator 12 =
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.5
= operator 13 =
0.0 1.0 0.0 0.25
1.0 0.0 0.0 0.25
0.0 0.0 1.0 0.25
= operator 14 =
0.0 -1.0 0.0 0.25
-1.0 0.0 0.0 0.75
0.0 0.0 1.0 0.75
= operator 15 =
0.0 1.0 0.0 0.75
-1.0 0.0 0.0 0.25
0.0 0.0 -1.0 0.75
= operator 16 =
0.0 -1.0 0.0 0.75
1.0 0.0 0.0 0.75
0.0 0.0 -1.0 0.25
= operator 17 =
1.0 0.0 0.0 0.25
0.0 0.0 1.0 0.25
0.0 1.0 0.0 0.25
= operator 18 =
-1.0 0.0 0.0 0.75
0.0 0.0 1.0 0.75
0.0 -1.0 0.0 0.25
= operator 19 =
-1.0 0.0 0.0 0.25
0.0 0.0 -1.0 0.75
0.0 1.0 0.0 0.75
= operator 20 =
1.0 0.0 0.0 0.75
0.0 0.0 -1.0 0.25
0.0 -1.0 0.0 0.75
= operator 21 =
0.0 0.0 1.0 0.25
0.0 1.0 0.0 0.25
1.0 0.0 0.0 0.25
= operator 22 =
0.0 0.0 1.0 0.75
0.0 -1.0 0.0 0.25
-1.0 0.0 0.0 0.75
= operator 23 =
0.0 0.0 -1.0 0.75
0.0 1.0 0.0 0.75
-1.0 0.0 0.0 0.25
= operator 24 =
0.0 0.0 -1.0 0.25
0.0 -1.0 0.0 0.75
1.0 0.0 0.0 0.75
= operator 25 =
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 26 =
-1.0 0.0 0.0 1.0
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 1.0
= operator 27 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 1.0
0.0 0.0 -1.0 1.0
= operator 28 =
1.0 0.0 0.0 1.0
0.0 -1.0 0.0 1.0
0.0 0.0 -1.0 0.5
= operator 29 =
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
= operator 30 =
0.0 0.0 1.0 1.0
-1.0 0.0 0.0 1.0
0.0 -1.0 0.0 0.5
= operator 31 =
0.0 0.0 -1.0 1.0
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 1.0
= operator 32 =
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 1.0
0.0 -1.0 0.0 1.0
= operator 33 =
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
= operator 34 =
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 1.0
-1.0 0.0 0.0 1.0
= operator 35 =
0.0 1.0 0.0 1.0
0.0 0.0 -1.0 1.0
-1.0 0.0 0.0 0.5
= operator 36 =
0.0 -1.0 0.0 1.0
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 1.0
= operator 37 =
0.0 1.0 0.0 0.75
1.0 0.0 0.0 0.75
0.0 0.0 1.0 0.75
= operator 38 =
0.0 -1.0 0.0 0.75
-1.0 0.0 0.0 1.25
0.0 0.0 1.0 1.25
= operator 39 =
0.0 1.0 0.0 1.25
-1.0 0.0 0.0 0.75
0.0 0.0 -1.0 1.25
= operator 40 =
0.0 -1.0 0.0 1.25
1.0 0.0 0.0 1.25
0.0 0.0 -1.0 0.75
= operator 41 =
1.0 0.0 0.0 0.75
0.0 0.0 1.0 0.75
0.0 1.0 0.0 0.75
= operator 42 =
-1.0 0.0 0.0 1.25
0.0 0.0 1.0 1.25
0.0 -1.0 0.0 0.75
= operator 43 =
-1.0 0.0 0.0 0.75
0.0 0.0 -1.0 1.25
0.0 1.0 0.0 1.25
= operator 44 =
1.0 0.0 0.0 1.25
0.0 0.0 -1.0 0.75
0.0 -1.0 0.0 1.25
= operator 45 =
0.0 0.0 1.0 0.75
0.0 1.0 0.0 0.75
1.0 0.0 0.0 0.75
= operator 46 =
0.0 0.0 1.0 1.25
0.0 -1.0 0.0 0.75
-1.0 0.0 0.0 1.25
= operator 47 =
0.0 0.0 -1.0 1.25
0.0 1.0 0.0 1.25
-1.0 0.0 0.0 0.75
= operator 48 =
0.0 0.0 -1.0 0.75
0.0 -1.0 0.0 1.25
1.0 0.0 0.0 1.25
