N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7474 | 0.9163 | 0.7608 | 0.6400 | U |
2 | 0.1946 | 0.6890 | 0.3282 | 1.1300 | Pb |
3 | 0.5121 | 0.1688 | 0.7260 | 1.1000 | Se |
4 | 0.2214 | 0.3749 | 0.5940 | 0.9000 | Se |
5 | 0.9539 | 0.1108 | 0.2123 | 0.7000 | Se |
6 | 0.5000 | 0.5000 | 0.5000 | 0.9000 | Cu |
7 | 0.3850 | 0.5767 | 0.9350 | 1.1000 | Cu |
8 | 0.9537 | 0.4432 | 0.2080 | 0.9000 | Cu |
9 | 0.3019 | 0.1365 | 0.9843 | 2.2000 | O |
10 | 0.1974 | 0.0302 | 0.4933 | 1.9000 | O |
11 | 0.8381 | 0.1161 | 0.9822 | 1.0000 | O |
12 | 0.6312 | 0.0986 | 0.6560 | 1.6000 | O |
13 | 0.5738 | 0.8285 | 0.5454 | 1.8000 | O |
14 | 0.7771 | 0.6924 | 0.6789 | 1.3000 | O |
15 | 0.9372 | 0.8646 | 0.9488 | 1.0000 | O |
16 | 0.4439 | 0.6702 | 0.2607 | 1.7000 | O |
17 | 0.3326 | 0.4828 | 0.6133 | 1.5000 | O |
18 | 0.1134 | 0.4851 | 0.5178 | 0.9000 | O |
19 | 0.0565 | 0.7391 | 0.6598 | 1.0000 | O |
20 | 0.5251 | 0.5931 | 0.8038 | 1.0000 | OH |
21 | 0.7619 | 0.4583 | 0.9689 | 1.1000 | OH |
22 | 0.0063 | 0.6171 | 0.0965 | 1.0000 | OH |
23 | 0.3403 | 0.7971 | 0.7985 | 2.5000 | H2O |