| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.2500 | 0.2416 | 0.0000 | Bi |
| 2 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 3 | 0.2500 | 0.2500 | 0.7922 | 0.0000 | Cu |
| 4 | 0.2500 | 0.5570 | 0.6096 | 0.0000 | Se |
| 5 | 0.2500 | 0.7500 | 0.1488 | 0.0000 | (Cl) |
| 6 | 0.2500 | 0.1113 | 0.9941 | 0.0000 | O |
| 7 | 0.0409 | 0.5836 | 0.7552 | 0.0000 | O |
| 8 | 0.2500 | 0.1173 | 0.5872 | 0.0000 | O |