| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0942 | 0.7500 | 0.5400 | Fe=0.5800, Al=0.4200 |
| 2 | 0.0000 | 0.6918 | 0.7500 | 1.2000 | Ca=0.9700, Fe=0.0300 |
| 3 | 0.2117 | 0.4057 | 0.7764 | 0.4200 | Si=0.5400, Al=0.4600 |
| 4 | 0.3888 | 0.4123 | 0.8659 | 1.2300 | O |
| 5 | 0.1366 | 0.2411 | 0.6799 | 1.5300 | O |
| 6 | 0.1468 | 0.4802 | 0.0124 | 1.5400 | O |