| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 1.2000 | Cu |
| 2 | 0.2500 | 0.5000 | 0.0000 | 1.2000 | Cu |
| 3 | 0.2500 | 0.0000 | 0.5000 | 1.2000 | Cu |
| 4 | 0.2570 | 0.0000 | 0.0000 | 1.2000 | Cu |
| 5 | 0.2400 | 0.2400 | 0.2400 | 1.3000 | Ge=0.5000, Fe=0.5000 |
| 6 | 0.1210 | 0.1210 | 0.1210 | 1.3000 | (S) |
| 7 | 0.3790 | 0.3640 | 0.1210 | 1.3000 | (S) |