| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.1473 | 0.2964 | 0.3270 | 0.0000 | Fe |
| 2 | 0.0000 | 0.0000 | 0.2663 | 0.0000 | (Cl) |
| 3 | 0.1636 | -0.1655 | 0.0826 | 0.0000 | B |
| 4 | 0.1002 | -0.1027 | -0.0290 | 0.0000 | B |
| 5 | 0.0000 | 0.0000 | 0.1018 | 0.0000 | B |
| 6 | 0.0000 | 0.0000 | -0.0121 | 0.0000 | O |
| 7 | -0.1593 | -0.0008 | 0.1051 | 0.0000 | O |
| 8 | 0.2888 | 0.2591 | -0.0372 | 0.0000 | O |
| 9 | 0.2003 | -0.0231 | -0.0879 | 0.0000 | O |
| 10 | -0.3045 | -0.2246 | 0.0212 | 0.0000 | O |