| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2578 | 0.7500 | 0.1554 | 0.0000 | Ca |
| 2 | 0.5815 | 0.2500 | 0.1032 | 0.0000 | Al |
| 3 | -0.0617 | 0.7500 | 0.1113 | 0.0000 | Al |
| 4 | 0.2965 | 0.2500 | 0.3454 | 0.0000 | O |
| 5 | 0.0788 | 0.2500 | 0.0718 | 0.0000 | O |
| 6 | 0.3846 | 0.2500 | 0.0205 | 0.0000 | O |
| 7 | 0.0259 | 0.7500 | 0.2844 | 0.0000 | O |