| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Cu |
| 2 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Ni |
| 3 | 0.5394 | 0.3531 | 0.7118 | 0.0000 | Na |
| 4 | 0.5504 | 0.3177 | 0.2176 | 0.0000 | P |
| 5 | 0.7043 | 0.3521 | 0.0458 | 0.0000 | O |
| 6 | 0.5516 | 0.1372 | 0.2405 | 0.0000 | O |
| 7 | 0.2702 | 0.3796 | 0.1928 | 0.0000 | O |
| 8 | 0.6902 | 0.3876 | 0.4086 | 0.0000 | O |