N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2605 | 0.8262 | 0.0093 | 0.0000 | Ca |
2 | 0.2532 | 0.3243 | -0.0140 | 0.0000 | As |
3 | 0.2391 | 0.3746 | 0.2260 | 0.0000 | O |
4 | 0.5340 | 0.2786 | 0.0991 | 0.0000 | O |
5 | 0.1941 | 0.3978 | -0.2238 | 0.0000 | O |
6 | 0.0273 | 0.2503 | -0.1177 | 0.0000 | O |
7 | 0.1414 | 0.9257 | 0.2435 | 0.0000 | H2O |
8 | 0.2671 | 0.9456 | 0.7685 | 0.0000 | H2O |