| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.5561 | 0.7615 | 0.4262 | 0.0000 | Pb |
| 2 | 0.5348 | 0.8601 | 0.1832 | 0.0000 | Pb |
| 3 | 0.1100 | 0.9530 | 0.3966 | 0.0000 | Sb=0.8830, Sb=0.1170 |
| 4 | 0.0861 | 0.0642 | 0.1797 | 0.0000 | Sb=0.9650, Sb=0.0350 |
| 5 | 0.1120 | 0.8414 | 0.6313 | 0.0000 | Sb=0.8920, Sb=0.1080 |
| 6 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Fe |
| 7 | 0.5508 | 0.8974 | 0.5031 | 0.0000 | (S) |
| 8 | 0.0500 | 0.8406 | 0.3175 | 0.0000 | (S) |
| 9 | 0.0214 | 0.9564 | 0.0956 | 0.0000 | (S) |
| 10 | 0.0697 | 0.7311 | 0.5508 | 0.0000 | (S) |
| 11 | 0.5280 | 0.9971 | 0.2841 | 0.0000 | (S) |
| 12 | 0.5817 | 0.7945 | 0.7244 | 0.0000 | (S) |
| 13 | 0.5128 | 0.1054 | 0.0791 | 0.0000 | (S) |