| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2989 | 0.0000 | 0.7101 | 0.0000 | Ti=0.7700, Fe=0.2000 |
| 2 | 0.3977 | 0.0000 | 0.3001 | 0.0000 | Ti=0.9000, Fe=0.2000 |
| 3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Na=0.1700, Fe=0.0500 |
| 4 | 0.3737 | 0.0000 | 0.9956 | 0.0000 | O |
| 5 | 0.2349 | 0.0000 | 0.3451 | 0.0000 | O |
| 6 | 0.4416 | 0.0000 | 0.6339 | 0.0000 | O |
| 7 | 0.1355 | 0.0000 | 0.7099 | 0.0000 | O |