| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.4126 | 0.1746 | 0.0000 | Tl |
| 2 | 0.6431 | 0.0000 | 0.0000 | 0.0000 | Tl |
| 3 | 0.2500 | 0.3564 | 0.2500 | 0.0000 | Mn |
| 4 | 0.1161 | 0.0348 | 0.1040 | 0.0000 | As |
| 5 | 0.0000 | 0.8450 | 0.1157 | 0.0000 | (S) |
| 6 | 0.1331 | 0.1097 | 0.2336 | 0.0000 | (S) |
| 7 | 0.2807 | 0.3304 | 0.0986 | 0.0000 | (S) |