Fe2 P2 S6
1.0
5.910634 0.000000 0.001454
2.955317 5.136826 0.000727
0.005700 0.000000 23.182436
Fe P S
2 2 6
direct
0.668810 0.662380 0.500000 Fe
0.331190 0.337620 0.500000 Fe
0.999305 0.000000 0.452544 P
0.000695 0.000000 0.547456 P
0.000052 0.335377 0.431748 S
0.664571 0.335377 0.568252 S
0.337241 0.000000 0.567882 S
0.662759 0.000000 0.432118 S
0.999948 0.664623 0.568252 S
0.335429 0.664623 0.431748 S
