| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.3339 | 0.2500 | 0.3345 | 0.0000 | Pb |
| 2 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 3 | 0.3338 | 0.7500 | 0.8852 | 0.0000 | Se=0.8200, S=0.1800 |
| 4 | 0.4894 | 0.7500 | 0.0750 | 0.0000 | O |
| 5 | 0.3345 | 0.7500 | 0.5464 | 0.0000 | O |
| 6 | 0.2467 | 0.5206 | 0.9443 | 0.0000 | O |
| 7 | 0.0343 | 0.7500 | 0.2786 | 0.0000 | OH |
| 8 | 0.0898 | 0.2500 | 0.2692 | 0.0000 | OH |
| 9 | 0.1170 | 0.7500 | 0.3710 | 0.0000 | H |
| 10 | 0.0720 | 0.2500 | 0.4340 | 0.0000 | H |