| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.1350 | 0.1850 | 0.0000 | 0.0000 | Na |
| 2 | 0.0000 | 0.0000 | 0.2500 | 0.0000 | Ti=0.7500, Fe=0.2500 |
| 3 | 0.3070 | 0.0130 | 0.2980 | 0.0000 | Si |
| 4 | 0.0250 | 0.2990 | 0.5000 | 0.0000 | O |
| 5 | 0.1780 | 0.0490 | 0.2250 | 0.0000 | O |
| 6 | 0.4020 | 0.1340 | 0.3020 | 0.0000 | O |
| 7 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | O |
| 8 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | O |