| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.6667 | 0.3333 | -0.0029 | 0.0000 | Ca |
| 2 | 0.2436 | 0.9990 | 0.2500 | 0.0000 | Ca=0.9457, Pb=0.0543 |
| 3 | 0.3995 | 0.3718 | 0.2500 | 0.0000 | As |
| 4 | 0.3245 | 0.4933 | 0.2500 | 0.0000 | O |
| 5 | 0.5990 | 0.4702 | 0.2500 | 0.0000 | O |
| 6 | 0.3415 | 0.2521 | 0.4412 | 0.0000 | O |
| 7 | 0.0000 | 0.0000 | 0.2500 | 0.0000 | F=0.4500 |
| 8 | 0.0000 | 0.0000 | 0.1950 | 0.0000 | F=0.1500, O=0.1200 |