| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.3333 | 0.6667 | 0.2500 | 0.0000 | Ca |
| 2 | 0.1332 | 0.8323 | 0.2500 | 0.0000 | Ca |
| 3 | 0.2180 | 0.7629 | 0.7500 | 0.0000 | B |
| 4 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Mn |
| 5 | 0.0000 | 0.0000 | 0.0772 | 0.0000 | C=0.5000 |
| 6 | 0.0932 | 0.4735 | 0.2500 | 0.0000 | O |
| 7 | 0.3211 | 0.9191 | 0.7500 | 0.0000 | O |
| 8 | 0.3037 | 0.4704 | 0.5399 | 0.0000 | O |
| 9 | 0.0531 | 0.9044 | 0.5745 | 0.0000 | O |