| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | V |
| 2 | 0.2570 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 3 | 0.2495 | 0.2495 | 0.2495 | 0.0000 | Cu=0.8330 |
| 4 | 0.2500 | 0.0000 | 0.5000 | 0.0000 | Cu |
| 5 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | As=0.6400, Sn=0.3600 |
| 6 | 0.1192 | 0.1192 | 0.1192 | 0.0000 | (S) |
| 7 | 0.3704 | 0.3734 | 0.1220 | 0.0000 | (S) |