| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.4129 | 0.1749 | 0.0000 | Tl |
| 2 | 0.6406 | 0.0000 | 0.0000 | 0.0000 | Tl |
| 3 | 0.2500 | 0.3564 | 0.2500 | 0.0000 | Mn |
| 4 | 0.1149 | 0.0336 | 0.1043 | 0.0000 | As |
| 5 | 0.0000 | 0.8429 | 0.1155 | 0.0000 | (S) |
| 6 | 0.1321 | 0.1087 | 0.2345 | 0.0000 | (S) |
| 7 | 0.2804 | 0.3325 | 0.0986 | 0.0000 | (S) |