CAPGARONNITE [1]
Atomic Positions
N/N
x/a
y/b
z/c
B(j)
Occupancy
1
0.1340
0.2530
0.4640
0.0400
Hg
2
0.2910
0.0440
-0.0100
0.1100
Ag
3
0.3900
0.1140
0.4680
0.0400
(S)
4
0.3830
0.3550
0.0310
0.1100
(Cl)=0.8000, (Br)=0.2000