N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.9973 | 0.5000 | 0.0000 | Cu |
2 | 0.0070 | 0.5081 | 0.4979 | 0.0000 | Cu |
3 | 0.9973 | 0.2448 | 0.2468 | 0.0000 | Cu |
4 | 0.9909 | 0.7456 | 0.2483 | 0.0000 | Cu |
5 | 0.4226 | 0.1822 | 0.0829 | 0.0000 | S |
6 | 0.4803 | 0.0476 | 0.1861 | 0.0000 | O |
7 | 0.2173 | 0.2304 | 0.0916 | 0.0000 | O |
8 | 0.5240 | 0.3938 | 0.0792 | 0.0000 | O |
9 | 0.4598 | 0.9397 | 0.4720 | 0.0000 | O |
10 | 0.1391 | 0.7440 | 0.0560 | 0.0000 | O |
11 | 0.8828 | 0.5100 | 0.6598 | 0.0000 | O |
12 | 0.8588 | 0.2463 | 0.9431 | 0.0000 | O |
13 | 0.1120 | 0.0015 | 0.3398 | 0.0000 | O |
14 | 0.8754 | 0.0060 | 0.6632 | 0.0000 | O |
15 | 0.1112 | 0.5040 | 0.8372 | 0.0000 | O |
16 | 0.7386 | 0.2620 | 0.4023 | 0.0000 | O |
17 | 0.4827 | 0.5795 | 0.3035 | 0.0000 | O |