| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2826 | 0.0000 | 0.2628 | 0.0000 | Ba=0.5750, Sr=0.1350, K=0.2050, Na=0.0850 |
| 2 | 0.3538 | 0.5000 | 0.2947 | 0.0000 | Ti |
| 3 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Na |
| 4 | 0.0000 | 0.2605 | 0.5000 | 0.0000 | Na=0.7650, Mn=0.0600, Fe=0.0900, Ca=0.0850 |
| 5 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Ti=0.5300, Fe=0.3500, Mg=0.1200 |
| 6 | 0.3605 | 0.7837 | 0.7969 | 0.0000 | Si |
| 7 | 0.3291 | 0.6883 | 0.5357 | 0.0000 | O |
| 8 | 0.4394 | 0.5000 | 0.3232 | 0.0000 | O |
| 9 | 0.3292 | 0.6868 | 0.0304 | 0.0000 | O |
| 10 | 0.3281 | 0.0000 | 0.7820 | 0.0000 | O |
| 11 | 0.4418 | 0.7935 | 0.8278 | 0.0000 | O |
| 12 | -0.0564 | 0.5000 | 0.2734 | 0.0000 | OH |