N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.5000 | 0.5000 | 1.2500 | Cu |
2 | 0.2462 | 0.8367 | 0.8563 | 1.4800 | Cu |
3 | 0.8889 | 0.8851 | 0.2625 | 0.9600 | As |
4 | 0.1921 | 0.9173 | 0.2203 | 1.3000 | O |
5 | 0.9054 | 0.8157 | 0.5390 | 1.5000 | O |
6 | 0.1717 | 0.6871 | 0.9904 | 1.3000 | O |
7 | 0.2893 | 0.9902 | 0.7332 | 1.2000 | O |