| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.8140 | 0.8140 | 0.8140 | 0.0000 | Na=0.5000 |
| 2 | 0.1910 | 0.1910 | 0.1910 | 0.0000 | Na=0.5000 |
| 3 | 0.7200 | 0.7200 | 0.7200 | 0.0000 | Na=0.5000 |
| 4 | 0.2720 | 0.2720 | 0.2720 | 0.0000 | Na=0.5000 |
| 5 | 0.1580 | 0.1580 | 0.4600 | 0.0000 | O |
| 6 | 0.6330 | 0.6330 | 0.9710 | 0.0000 | O |
| 7 | 0.2480 | 0.0000 | 0.5000 | 0.0000 | Al=0.5000, Si=0.5000 |
| 8 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | S |
| 9 | 0.5000 | 0.5000 | 0.5000 | 0.0000 | S |