| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.1466 | 0.0000 | 0.1050 | 1.3000 | Pb |
| 2 | 0.5258 | 0.0000 | 0.2715 | 1.2200 | Pb |
| 3 | 0.8290 | 0.0000 | 0.3440 | 1.2000 | S |
| 4 | 0.1110 | 0.0000 | 0.4290 | 2.1000 | O |
| 5 | 0.3550 | 0.7110 | 0.2510 | 2.0000 | O |
| 6 | 0.7130 | 0.0000 | 0.2840 | 2.0000 | O |
| 7 | 0.0000 | 0.2460 | 0.0000 | 1.7000 | O |