| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2167 | 0.0000 | 0.0000 | 0.0000 | Cu=0.6600 |
| 2 | 0.2220 | -0.0360 | 0.0360 | 0.0000 | Cu=0.1700 |
| 3 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | Cu=0.6700, Zn=0.3300 |
| 4 | 0.2748 | 0.2748 | 0.2748 | 0.0000 | Bi=0.4400 |
| 5 | 0.2589 | 0.2589 | 0.2589 | 0.0000 | As=0.5600 |
| 6 | 0.1167 | 0.1167 | 0.3598 | 0.0000 | (S) |
| 7 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (S) |