| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.5000 | 0.7500 | 0.0000 | Ni=0.2000 |
| 2 | 0.0000 | 0.5000 | 0.0229 | 0.0000 | Ni=0.9710 |
| 3 | 0.7522 | 0.2500 | 0.1250 | 0.0000 | Ni=0.9830 |
| 4 | 0.0000 | 0.5000 | 0.2500 | 0.0000 | As |
| 5 | 0.3453 | 0.2500 | 0.1250 | 0.0000 | As |
| 6 | 0.5094 | 0.2856 | 0.1937 | 0.0000 | O |
| 7 | 0.2225 | 0.0449 | 0.1471 | 0.0000 | O |
| 8 | 0.9445 | 0.2905 | 0.2059 | 0.0000 | O |