| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2200 | 0.0000 | 0.3682 | 0.0000 | Bi=0.9875, Sb=0.0090 |
| 2 | 0.3533 | 0.0000 | 0.1383 | 0.0000 | Bi=0.9875, Sb=0.0090 |
| 3 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Fe=0.6500, Mn=0.1020, Pb=0.1420, Cu=0.1050 |
| 4 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn |
| 5 | 0.6537 | 0.0000 | 0.0422 | 0.0000 | (S), (Se)=0.0030, (Te)=0.0017 |
| 6 | 0.0132 | 0.0000 | 0.1733 | 0.0000 | (S), (Se)=0.0030, (Te)=0.0017 |
| 7 | 0.6044 | 0.0000 | 0.4492 | 0.0000 | (S), (Se)=0.0030, (Te)=0.0017 |
| 8 | 0.8310 | 0.0000 | 0.3200 | 0.0000 | (S), (Se)=0.0030, (Te)=0.0017 |