N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6848 | 0.0000 | 0.0000 | 1.1500 | U |
2 | -0.0079 | 0.4172 | 0.0000 | 1.2900 | Se |
3 | 0.6389 | 0.5797 | 0.0000 | 1.3500 | Se |
4 | 0.6033 | 0.2512 | 0.0000 | 0.8300 | Cu |
5 | 0.3877 | 0.7535 | 0.0000 | 0.7800 | Cu |
6 | 0.1080 | 0.2455 | 0.2498 | 0.8500 | Cu |
7 | 0.9525 | 0.0509 | 0.0000 | 2.8000 | O |
8 | 0.4119 | -0.0477 | 0.0000 | 2.8000 | O |
9 | 0.9419 | 0.3326 | 0.0000 | 1.3000 | O |
10 | 0.6926 | 0.6648 | 0.0000 | 1.4000 | O |
11 | 0.1809 | 0.4271 | 0.2207 | 2.2000 | O |
12 | 0.4420 | 0.5739 | 0.2173 | 2.4000 | O |
13 | 0.0093 | 0.7993 | 0.0000 | 0.9000 | OH |
14 | 0.7804 | 0.2062 | 0.2467 | 0.8000 | OH |
15 | 0.4292 | 0.2954 | 0.2516 | 0.9000 | OH |
16 | 0.2282 | 0.1946 | 0.0000 | 0.9000 | OH |