| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0134 | 0.0000 | Pb=0.2540 |
| 2 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | U=0.4660 |
| 3 | 0.0000 | 0.0000 | 0.3102 | 0.0000 | Fe=0.6670 |
| 4 | 0.1843 | 0.1438 | 0.1656 | 0.0000 | Fe=0.7780 |
| 5 | -0.0842 | 0.2446 | 0.3920 | 0.0000 | Ti=0.9250 |
| 6 | 0.0766 | -0.2416 | 0.3984 | 0.0000 | Ti=0.8990 |
| 7 | 0.0000 | 0.0000 | 0.3904 | 0.0000 | Fe=0.0930 |
| 8 | 0.0000 | 0.0000 | 0.3643 | 0.0000 | Fe=0.0930 |
| 9 | 0.1099 | 0.3664 | 0.1660 | 0.0000 | Fe=0.1180 |
| 10 | 0.1760 | 0.1189 | 0.0564 | 0.0000 | Fe=0.1330 |
| 11 | 0.1774 | 0.1270 | 0.2732 | 0.0000 | Fe=0.1130 |
| 12 | -0.1311 | 0.0550 | 0.4381 | 0.0000 | O |
| 13 | 0.3583 | 0.2570 | 0.5584 | 0.0000 | O |
| 14 | -0.4074 | -0.4395 | 0.5507 | 0.0000 | O |
| 15 | 0.0522 | 0.1974 | 0.3352 | 0.0000 | O |
| 16 | 0.3645 | 0.2667 | 0.3396 | 0.0000 | O |
| 17 | 0.0000 | 0.0000 | 0.2142 | 0.0000 | O |
| 18 | -0.2876 | -0.4925 | 0.4443 | 0.0000 | O |