SHENZHUANGITE [1], structure type -
chalcopyrite
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.0000
0.0000
0.0000
0.0000
Ni=0.6900, Cu=0.3100
2
0.0000
0.0000
0.5000
0.0000
Fe
3
0.2574
0.2500
0.1250
0.0000
(S)