| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.3333 | 0.6667 | 0.2500 | 0.0000 | Ca |
| 2 | 0.1320 | 0.8317 | 0.2500 | 0.0000 | Ca |
| 3 | 0.2166 | 0.7717 | 0.7500 | 0.0000 | B |
| 4 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Mn |
| 5 | 0.0000 | 0.0000 | 0.0601 | 0.0000 | C=0.5000 |
| 6 | 0.0923 | 0.4738 | 0.2500 | 0.0000 | O |
| 7 | 0.3200 | 0.9195 | 0.7500 | 0.0000 | O |
| 8 | 0.3082 | 0.4755 | 0.5398 | 0.0000 | O |
| 9 | 0.0590 | 0.9155 | 0.5706 | 0.0000 | O |