| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.5423 | 0.1448 | 0.2360 | 0.0000 | Tl |
| 2 | 0.9292 | 0.1177 | 0.2397 | 0.0000 | Tl |
| 3 | 0.1817 | 0.1542 | 0.3724 | 0.0000 | As |
| 4 | 0.2866 | 0.0395 | 0.9907 | 0.0000 | As |
| 5 | 0.3503 | 0.1477 | 0.4672 | 0.0000 | Cu |
| 6 | 0.7440 | 0.1359 | 0.5769 | 0.0000 | Cu |
| 7 | 0.8785 | 0.0395 | 0.7314 | 0.0000 | (S) |
| 8 | 0.1035 | 0.1897 | 0.6438 | 0.0000 | (S) |
| 9 | 0.7381 | 0.1468 | 0.2101 | 0.0000 | (S) |
| 10 | 0.6264 | 0.0419 | 0.7186 | 0.0000 | (S) |
| 11 | 0.3868 | 0.1474 | 0.8289 | 0.0000 | (S) |