| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu=0.9000 |
| 2 | 0.2500 | 0.0000 | 0.5000 | 0.0000 | Cu=0.9100 |
| 3 | 0.2603 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 4 | 0.2577 | 0.2577 | 0.2577 | 0.0000 | Cu=0.7300 |
| 5 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | As=0.9300, V=0.0700 |
| 6 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | V=0.3000 |
| 7 | 0.1251 | 0.1251 | 0.1251 | 0.0000 | (S) |
| 8 | 0.1213 | 0.3678 | 0.3795 | 0.0000 | (S) |