| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.3171 | 0.3352 | 0.2500 | 0.0000 | Fe |
| 2 | 0.1447 | 0.0629 | 0.2500 | 0.0000 | Sb |
| 3 | 0.0388 | 0.3856 | 0.7500 | 0.0000 | Sb |
| 4 | 0.1955 | 0.2703 | 0.7500 | 0.0000 | (S) |
| 5 | 0.4216 | 0.1841 | 0.2500 | 0.0000 | (S) |
| 6 | 0.2235 | 0.4944 | 0.2500 | 0.0000 | (S) |
| 7 | 0.4503 | 0.4043 | 0.7500 | 0.0000 | (S) |