Ni2 P2 S6
1.0
5.827852 0.000000 0.000000
2.913926 5.043811 0.000000
0.000000 0.000000 23.037210
Ni P S
2 2 6
direct
0.333428 0.333144 0.500000 Ni
0.666572 0.666856 0.500000 Ni
0.999813 0.000000 0.547359 P
0.000187 0.000000 0.452641 P
0.655046 0.344723 0.566701 S
0.000231 0.344723 0.433299 S
0.655421 0.000000 0.433236 S
0.344579 0.000000 0.566764 S
0.999769 0.655277 0.566701 S
0.344954 0.655277 0.433299 S
