| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.9100 | Cu=0.5000, Fe=0.5000 |
| 2 | 0.2570 | 0.0000 | 0.0000 | 1.3000 | Cu=0.5000, Fe=0.5000 |
| 3 | 0.5000 | 0.2500 | 0.0000 | 1.2700 | Cu=0.5000, Fe=0.5000 |
| 4 | 0.2522 | 0.2522 | 0.2522 | 1.3300 | Cu=0.5000, Fe=0.5000 |
| 5 | 0.5000 | 0.0000 | 0.0000 | 1.0000 | Cu=0.0200, Fe=0.0200 |
| 6 | 0.1250 | 0.1250 | 0.1250 | 1.5500 | (S) |
| 7 | 0.1207 | 0.3740 | 0.3740 | 0.9400 | (S) |