| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.5000 | 0.0000 | 1.3600 | Cu=0.6800, Zn=0.2300, Fe=0.1500 |
| 2 | 0.1919 | 0.0000 | 0.0000 | 2.1600 | Cu=0.3900, Ag=0.6100 |
| 3 | 0.2700 | 0.2700 | 0.2700 | 0.8800 | Sb=0.9900, As=0.0100 |
| 4 | 0.1202 | 0.1202 | 0.3654 | 0.9000 | (S) |
| 5 | 0.0000 | 0.0000 | 0.0000 | 0.9000 | (S) |