Pentlandite
Pearson A D, Buerger M J
American Mineralogist 41 (1956) 804-805
Confirmation of the crystal structure of pentlandite.
_database_code_amcsd 0000079
10.030 10.030 10.030 90 90 90 Fm3m
atom    x    y    z occ
Ni1    .5   .5   .5  .5
Fe1    .5   .5   .5  .5
Ni2  .125 .125 .125  .5
Fe2  .125 .125 .125  .5
S1    .25  .25  .25
S2    .25    0    0