Cr2 P2 S8
1.0
6.548155 0.023628 0.000000
2.482923 6.059207 0.000000
0.000000 0.000000 23.708705
Cr P S
2 2 8
direct
0.253535 0.746465 0.500000 Cr
0.746465 0.253535 0.500000 Cr
0.293527 0.293527 0.456406 P
0.706473 0.706473 0.543594 P
0.404735 0.873769 0.578259 S
0.126231 0.595265 0.421741 S
0.595265 0.126231 0.421741 S
0.873769 0.404735 0.578259 S
0.100824 0.100824 0.449782 S
0.899176 0.899176 0.550218 S
0.626731 0.626731 0.462691 S
0.373269 0.373269 0.537309 S
