| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Ca |
| 2 | 0.4969 | 0.9938 | 0.0950 | 0.0000 | Fe |
| 3 | 0.0000 | 0.0000 | 0.8623 | 0.0000 | Si |
| 4 | 0.0000 | 0.0000 | 0.6802 | 0.0000 | P |
| 5 | 0.0000 | 0.0000 | 0.1988 | 0.0000 | O |
| 6 | 0.0000 | 0.0000 | 0.6224 | 0.0000 | O |
| 7 | 0.1429 | 0.2858 | 0.1183 | 0.0000 | O |
| 8 | 0.7979 | 0.5958 | 0.0362 | 0.0000 | O |