| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0200 | (Sb) |
| 2 | 0.0000 | 0.0000 | 0.1483 | 0.0300 | Tl=0.8925, K=0.1075 |
| 3 | 0.0000 | 0.5000 | 0.0570 | 0.0200 | Cu |
| 4 | 0.0000 | 0.5000 | 0.2500 | 0.0400 | Cu |
| 5 | 0.5000 | 0.5000 | 0.0000 | 0.0300 | Cu=0.3500 |
| 6 | 0.5000 | 0.5000 | 0.0930 | 0.0000 | (S) |
| 7 | 0.5000 | 0.5000 | 0.2140 | 0.0400 | (S) |