DIGENITE [1], "distorted" structure type - fluorite, DF

Atomic Positions

N/Nx/ay/bz/cB(j)Occupancy
1
0.0000
0.0000
0.0000
0.0000
(S)
2
0.2500
0.2500
0.2500
0.0000
Cu=0.4500
3
0.3333
0.3333
0.3333
0.0000
Cu=0.1100