TROILITE [1], "distorted" structure type -
nickeline
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.3797
0.0551
0.1230
0.0000
Fe
2
0.0000
0.0000
0.0000
0.0000
S
3
0.3333
0.6667
0.0199
0.0000
(S)
4
0.6652
0.9969
0.2500
0.0000
(S)