From NWChem
group number = 194
group name = P6_3/mmc
crystal system = Hexagonal
setting number = 1
number of symmetry operators = 24
+x,+y,+z
-y,+x-y,+z
-x+y,-x,+z
-x,-y,+z+1/2
+y,-x+y,+z+1/2
+x-y,+x,+z+1/2
+y,+x,-z
+x-y,-y,-z
-x,-x+y,-z
-y,-x,-z+1/2
-x+y,+y,-z+1/2
+x,+x-y,-z+1/2
-x,-y,-z
+y,-x+y,-z
+x-y,+x,-z
+x,+y,-z+1/2
-y,+x-y,-z+1/2
-x+y,-x,-z+1/2
-y,-x,+z
-x+y,+y,+z
+x,+x-y,+z
+y,+x,+z+1/2
+x-y,-y,+z+1/2
-x,-x+y,+z+1/2
= 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 0.0
= operator 3 =
-1.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 4 =
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 5 =
0.0 1.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 6 =
1.0 -1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.5
= 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 =
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 0.0
= operator 10 =
0.0 -1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 11 =
-1.0 1.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 12 =
1.0 0.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 13 =
-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 14 =
0.0 1.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 15 =
1.0 -1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 16 =
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 17 =
0.0 -1.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 18 =
-1.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 19 =
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 20 =
-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 21 =
1.0 0.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 22 =
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 23 =
1.0 -1.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 24 =
-1.0 0.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5
