| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.2270 | 0.5000 | 0.0000 | Hg |
| 2 | 0.1510 | 0.5000 | -0.2535 | 0.0000 | Hg |
| 3 | 0.7500 | 0.2500 | 0.5000 | 0.0000 | Hg |
| 4 | -0.1405 | 0.5000 | -0.2342 | 0.0000 | Hg |
| 5 | 0.0248 | 0.2160 | -0.2048 | 0.0000 | Hg |
| 6 | -0.1475 | 0.2331 | -0.2688 | 0.0000 | (S) |
| 7 | 0.1234 | 0.2315 | -0.2782 | 0.0000 | (S) |
| 8 | -0.1245 | 0.5000 | 0.0126 | 0.0000 | (I) |
| 9 | -0.3936 | 0.0000 | -0.5269 | 0.0000 | (I) |
| 10 | 0.1126 | 0.0000 | -0.0101 | 0.0000 | (Cl) |
| 11 | 0.1299 | 0.0000 | -0.5162 | 0.0000 | (Cl) |