| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0870 | 0.0870 | 0.0870 | 0.0400 | Cu=0.1900, Fe=0.0300 |
| 2 | 0.1270 | 0.1270 | 0.0990 | 0.0100 | Cu=0.0800, Fe=0.0200 |
| 3 | 0.3630 | 0.1360 | 0.1110 | 0.0300 | Cu=0.3000, Fe=0.0700 |
| 4 | 0.2530 | 0.0000 | 0.0000 | 0.0400 | (S) |
| 5 | 0.2500 | 0.2500 | 0.2500 | 0.0000 | (S) |