| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2460 | 0.2500 | 0.9873 | 0.2500 | (S) |
| 2 | 0.7850 | 0.2500 | 0.9841 | 0.4100 | (S) |
| 3 | 0.9988 | 0.9980 | 0.2611 | 0.3100 | (S) |
| 4 | 0.4832 | 0.7500 | 0.0942 | 0.9400 | Cu |
| 5 | 0.4258 | 0.2500 | 0.3335 | 0.7700 | Cu |
| 6 | 0.4790 | 0.7500 | 0.3545 | 0.7400 | Cu |
| 7 | 0.2371 | 0.4303 | 0.1553 | 1.3500 | Cu |
| 8 | 0.1770 | 0.4767 | 0.4186 | 1.5200 | Cu |