Fe3
1.0
3.585051 0.000000 0.000000
0.000000 3.585051 0.000000
0.000000 0.000000 3.585051
Fe
3
direct
0.000000 0.250000 0.250000 Fe
0.500000 0.998533 0.501467 Fe
0.500000 0.501467 0.998533 Fe
