N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3689 | 0.6720 | 0.5220 | 0.0000 | Ca |
2 | 0.7640 | 0.5065 | 0.7570 | 0.0000 | Zn |
3 | 0.3771 | 0.3232 | 0.4830 | 0.0000 | As |
4 | 0.5520 | 0.4413 | 0.5100 | 0.0000 | O |
5 | 0.2079 | 0.4370 | 0.4110 | 0.0000 | O |
6 | 0.6484 | 0.7331 | 0.7690 | 0.0000 | O |
7 | 0.6033 | 0.7094 | 0.2420 | 0.0000 | O |
8 | 0.8905 | 0.5727 | 0.4920 | 0.0000 | OH |
9 | 0.9930 | 0.5230 | 0.5000 | 0.0000 | H |