Ni2 P2 S6
1.0
5.819549 0.000000 0.000000
2.909775 5.042021 0.000000
0.000000 0.000000 23.037210
Ni P S
2 2 6
direct
0.333132 0.333736 0.500000 Ni
0.666868 0.666264 0.500000 Ni
0.999363 0.000000 0.547391 P
0.000637 0.000000 0.452609 P
0.653830 0.345757 0.565886 S
0.000413 0.345757 0.434114 S
0.654562 0.000000 0.434080 S
0.345438 0.000000 0.565920 S
0.999587 0.654243 0.565886 S
0.346170 0.654243 0.434114 S
