BRAVOITE [1], structure type -
pyrite
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.0000
0.0000
0.0000
Fe=0.5000, Ni=0.5000
2
0.3860
0.3860
0.3860
0.0000
(S)