| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2958 | 0.0000 | 0.0000 | 0.0000 | K |
| 2 | 0.0000 | 0.0000 | 0.1532 | 0.0000 | K |
| 3 | 0.1308 | 0.3680 | 0.1839 | 0.0000 | Fe |
| 4 | 0.3686 | 0.3686 | 0.0663 | 0.0000 | Fe |
| 5 | 0.2276 | 0.2276 | 0.1139 | 0.0000 | (S) |
| 6 | 0.0000 | 0.2472 | 0.2514 | 0.0000 | (S) |
| 7 | 0.2468 | 0.5000 | 0.0000 | 0.0000 | (S) |
| 8 | 0.0000 | 0.5000 | 0.1225 | 0.0000 | (S) |
| 9 | 0.0000 | 0.0000 | 0.3726 | 0.0000 | (S) |
| 10 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (Cl)=0.6900, (S)=0.0700 |