From NWChem
group number = 180
group name = P6_222
crystal system = Hexagonal
setting number = 1
number of symmetry operators = 12
+x,+y,+z
-y,+x-y,+z+2/3
-x+y,-x,+z+1/3
-x,-y,+z
+y,-x+y,+z+2/3
+x-y,+x,+z+1/3
+y,+x,-z+2/3
+x-y,-y,-z
-x,-x+y,-z+1/3
-y,-x,-z+2/3
-x+y,+y,-z
+x,+x-y,-z+1/3
= 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 =
0.0 -1.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.666666666667
= operator 3 =
-1.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.333333333333
= operator 4 =
-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 5 =
0.0 1.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 1.0 0.666666666667
= operator 6 =
1.0 -1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.333333333333
= operator 7 =
0.0 1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.666666666667
= operator 8 =
1.0 -1.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 9 =
-1.0 0.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.333333333333
= operator 10 =
0.0 -1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.666666666667
= operator 11 =
-1.0 1.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 12 =
1.0 0.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.333333333333
