| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | Cu |
| 2 | 0.2174 | 0.0000 | 0.0000 | 0.0000 | Cu=0.7500 |
| 3 | 0.0750 | 0.0750 | -0.2139 | 0.0000 | Cu=0.1700 |
| 4 | 0.2586 | 0.2586 | 0.2586 | 0.0000 | As=0.9800, Sb=0.0200 |
| 5 | 0.1184 | 0.1184 | 0.3570 | 0.0000 | (S) |
| 6 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (S) |