| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.7485 | 0.7485 | 0.7485 | 0.0100 | P |
| 2 | 0.8748 | 0.8748 | 0.8748 | 0.0100 | (Se) |
| 3 | 0.3708 | 0.3765 | 0.8808 | 0.0100 | (Se) |
| 4 | 0.2360 | 0.2360 | 0.2360 | 0.0200 | (Se) |
| 5 | 0.4908 | 0.4908 | 0.4908 | 0.0200 | (Se) |
| 6 | 0.0720 | -0.0892 | -0.2696 | 0.0500 | Cu |
| 7 | 0.0024 | 0.0034 | 0.2795 | 0.0600 | Cu=0.6800 |
| 8 | 0.0636 | 0.0578 | 0.2639 | 0.0300 | Cu=0.3200 |
| 9 | 0.3608 | 0.3608 | 0.3608 | 0.2000 | Cu |