| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.5000 | 0.7426 | 0.0000 | Fe |
| 2 | -0.0887 | 0.2429 | 0.7482 | 0.0000 | Fe |
| 3 | 0.3272 | 0.5478 | 0.7381 | 0.0000 | Ti |
| 4 | 0.1675 | 0.3205 | 0.5000 | 0.0000 | Ti |
| 5 | 0.1273 | 0.6043 | 0.5000 | 0.0000 | (Si) |
| 6 | 0.1238 | 0.5973 | 0.0000 | 0.0000 | (Si) |
| 7 | -0.0384 | 0.1193 | 0.5000 | 0.0000 | (Si) |
| 8 | -0.3371 | 0.1816 | 0.8465 | 0.0000 | (Si) |
| 9 | -0.0389 | 0.1213 | 0.0000 | 0.0000 | (Si) |