N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | -0.2576 | 0.1235 | 0.0169 | 0.0000 | Cu |
2 | -0.0001 | 0.2128 | 0.0202 | 0.0000 | Cu |
3 | -0.1345 | 0.3272 | 0.1822 | 0.0000 | Cu |
4 | -0.3007 | 0.3008 | -0.1274 | 0.0000 | Cu |
5 | 0.3464 | 0.0611 | 0.1820 | 0.0000 | Cu |
6 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Cu |
7 | 0.2137 | 0.0605 | -0.1473 | 0.0000 | Cu |
8 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Cu |
9 | 0.0012 | 0.1239 | 0.3047 | 0.0000 | Se |
10 | 0.5331 | -0.1318 | 0.2671 | 0.0000 | Se |
11 | 0.3319 | -0.0005 | 0.0170 | 0.0000 | O |
12 | -0.1723 | 0.2416 | 0.0321 | 0.0000 | O |
13 | 0.0732 | 0.1565 | 0.2008 | 0.0000 | O |
14 | -0.0688 | 0.2284 | 0.3323 | 0.0000 | O |
15 | -0.1421 | 0.0716 | 0.1965 | 0.0000 | O |
16 | 0.5948 | -0.0804 | 0.1615 | 0.0000 | O |
17 | 0.4586 | -0.0388 | 0.3109 | 0.0000 | O |
18 | 0.3914 | -0.1800 | 0.1497 | 0.0000 | O |
19 | 0.2143 | 0.1790 | 0.0193 | 0.0000 | (Cl) |
20 | 0.0866 | 0.3785 | 0.1503 | 0.0000 | (Cl) |
21 | 0.3854 | 0.1321 | 0.3862 | 0.0000 | (Cl) |
22 | -0.4318 | 0.3418 | -0.3426 | 0.0000 | (Cl) |
23 | -0.2536 | 0.4326 | -0.0006 | 0.0000 | (Cl) |
24 | -0.1131 | 0.0692 | -0.1499 | 0.0000 | (Cl) |