Pentlandite
Lindqvist M, Lindqvist D, Westgren A
Svensk Kemisk Tidskrift 48 (1936) 156-160
The crystal structure of Co9 S8 and of pentlandite (Ni Fe)9 S8
_cod_database_code 1011208
_database_code_amcsd 0018078
9.91 9.91 9.91 90 90 90 Fm3m
atom    x    y    z  occ
Fe1  .125 .125 .125 .667
Ni1  .125 .125 .125 .333
Fe2    .5   .5   .5 .667
Ni2    .5   .5   .5 .333
S1    .25  .25  .25
S2    .25    0    0