| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Fe=0.7600, Ni=0.2400 |
| 2 | 0.2500 | 0.2500 | 0.5000 | 0.0000 | Fe |
| 3 | 0.0000 | -0.0017 | 0.6978 | 0.0000 | Fe |
| 4 | 0.5000 | 0.0140 | 0.6007 | 0.0000 | Fe |
| 5 | 0.0000 | 0.4855 | 0.7008 | 0.0000 | Fe |
| 6 | 0.0000 | -0.0012 | 0.5947 | 0.0000 | Fe=0.8570 |
| 7 | 0.2732 | 0.2395 | 0.6015 | 0.0000 | Fe |
| 8 | 0.2311 | 0.2569 | 0.7015 | 0.0000 | Fe=0.7750 |
| 9 | 0.5000 | 0.1683 | 0.4466 | 0.0000 | (S) |
| 10 | 0.0000 | 0.1650 | 0.6483 | 0.0000 | (S) |
| 11 | 0.0000 | 0.3326 | 0.7531 | 0.0000 | (S) |
| 12 | 0.2500 | 0.0806 | 0.7500 | 0.0000 | (S) |
| 13 | 0.5000 | 0.1645 | 0.6562 | 0.0000 | (S) |
| 14 | 0.5000 | 0.3301 | 0.5496 | 0.0000 | (S) |
| 15 | 0.2515 | 0.0828 | 0.5484 | 0.0000 | (S) |
| 16 | 0.2499 | 0.4154 | 0.6477 | 0.0000 | (S) |