N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9172 | 0.0906 | 0.6769 | 0.0000 | K |
2 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Cu |
3 | 0.7170 | 0.4997 | 0.8030 | 0.0000 | Cu |
4 | 0.4875 | 0.3373 | 0.7410 | 0.0000 | Cu |
5 | 0.3608 | 0.5905 | 0.8643 | 0.0000 | (Cl) |
6 | 0.3742 | 0.3481 | 0.5787 | 0.0000 | (Cl) |
7 | 0.8534 | 0.3594 | 0.9126 | 0.0000 | (Cl) |
8 | 0.8386 | 0.6119 | 0.6727 | 0.0000 | (Cl) |
9 | 0.5829 | 0.5825 | 0.7056 | 0.0000 | OH |
10 | 0.5855 | 0.3565 | 0.8831 | 0.0000 | OH |
11 | 0.9279 | 0.8808 | 0.8808 | 0.0000 | H2O |