N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.5000 | Cu |
2 | 0.3964 | 0.5764 | 0.3515 | 1.4100 | Cu |
3 | 0.6093 | 0.1365 | 0.8691 | 1.1800 | I |
4 | 0.8579 | 0.1552 | 0.3978 | 1.2700 | I |
5 | 0.1870 | 0.4038 | 0.8586 | 1.3500 | I |
6 | 0.5281 | 0.0801 | 0.1902 | 1.6900 | O |
7 | 0.5710 | 0.1790 | 0.6538 | 1.6100 | O |
8 | 0.8366 | 0.0642 | 0.8318 | 1.8600 | O |
9 | 0.7921 | 0.3730 | 0.4819 | 1.8000 | O |
10 | 0.0851 | 0.1899 | 0.5191 | 1.8100 | O |
11 | 0.9297 | 0.1911 | 0.1893 | 1.6700 | O |
12 | 0.4107 | 0.4959 | 0.8097 | 1.7900 | O |
13 | 0.8076 | 0.4542 | 0.9172 | 1.5800 | O |
14 | 0.2417 | 0.2041 | 0.9026 | 1.9300 | O |
15 | 0.3710 | 0.3413 | 0.3873 | 1.7400 | H2O |