| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.3333 | 0.6667 | 0.0068 | 0.0000 | Pb |
| 2 | 0.2508 | 0.0040 | 0.2500 | 0.0000 | Pb |
| 3 | 0.4091 | 0.3845 | 0.2500 | 0.0000 | As |
| 4 | 0.3293 | 0.4940 | 0.2500 | 0.0000 | O |
| 5 | 0.5986 | 0.4866 | 0.2500 | 0.0000 | O |
| 6 | 0.3617 | 0.2721 | 0.0698 | 0.0000 | O |
| 7 | 0.0000 | 0.0000 | 0.3743 | 0.0000 | OH=0.5000 |