N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Hg |
2 | 0.6306 | 0.6734 | 0.4759 | 0.0000 | Hg |
3 | 0.8714 | 0.6447 | 0.3016 | 0.0000 | Hg |
4 | 0.5444 | 0.6036 | 0.7238 | 0.0000 | Hg |
5 | 0.7016 | 0.4762 | 0.7960 | 0.0000 | Hg |
6 | 0.1455 | 0.5742 | 0.5561 | 0.0000 | Hg |
7 | 0.0950 | 0.6166 | 0.1643 | 0.0000 | O |
8 | 0.4250 | 0.6725 | 0.6158 | 0.0000 | O |
9 | 0.3415 | 0.8220 | 0.4170 | 0.0000 | (I) |
10 | 0.8910 | 0.8307 | 0.6725 | 0.0000 | (Cl)=0.5950, Br=0.4050 |