N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6229 | 0.6770 | 0.5167 | 5.9300 | As |
2 | 0.2359 | 0.4936 | 0.2432 | 9.6400 | Zn |
3 | 0.6312 | 0.3281 | 0.4771 | 9.7700 | Ca |
4 | 0.4475 | 0.5587 | 0.4900 | 10.5000 | O |
5 | 0.7814 | 0.5633 | 0.5882 | 14.0000 | O |
6 | 0.3500 | 0.2678 | 0.2309 | 10.7000 | O |
7 | 0.3970 | 0.2903 | 0.7585 | 11.9000 | O |
8 | 0.1085 | 0.4269 | 0.5087 | 8.8000 | OH |
9 | 0.0140 | 0.4730 | 0.5130 | 27.0000 | H |