| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.1441 | 0.0000 | Fe |
| 2 | 0.0000 | 0.0000 | 0.3507 | 0.0000 | Fe |
| 3 | 0.2904 | 0.2882 | 0.2507 | 0.0000 | S |
| 4 | 0.1943 | 0.2048 | 0.1938 | 0.0000 | O |
| 5 | 0.2240 | 0.1456 | 0.2984 | 0.0000 | O |
| 6 | 0.4922 | 0.3634 | 0.2436 | 0.0000 | O |
| 7 | 0.2527 | 0.4393 | 0.2659 | 0.0000 | O |