| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.2500 | 0.1396 | 0.8800 | Al |
| 2 | 0.2500 | 0.2500 | 0.6384 | 1.9800 | F |
| 3 | 0.7500 | 0.2500 | 0.5000 | 1.4100 | O |
| 4 | 0.4652 | 0.3484 | 0.1366 | 1.9100 | O=0.5000 |
| 5 | 0.6550 | 0.2830 | 0.3790 | 3.0000 | H=0.5000 |
| 6 | 0.4880 | 0.4490 | 0.0460 | 3.0000 | H=0.5000 |
| 7 | 0.5600 | 0.3150 | 0.2580 | 3.0000 | H=0.5000 |