N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
2 | 0.5712 | 0.1247 | 0.2101 | 0.0000 | Na |
3 | 0.2376 | 0.1180 | 0.5444 | 0.0000 | S |
4 | 0.0044 | 0.1725 | 0.4880 | 0.0000 | O |
5 | 0.2912 | 0.0576 | 0.7840 | 0.0000 | O |
6 | 0.2319 | 0.0429 | 0.3323 | 0.0000 | O |
7 | 0.4381 | 0.1922 | 0.5615 | 0.0000 | O |
8 | 0.8313 | 0.1344 | 0.9512 | 0.0000 | O |
9 | 0.9040 | 0.1880 | 0.9978 | 0.0000 | H |
10 | 0.7240 | 0.1450 | 0.8130 | 0.0000 | H |