N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5160 | 0.1530 | 0.2140 | 0.0000 | Cu |
2 | 0.7310 | 0.3920 | 0.4000 | 0.0000 | Se |
3 | 0.2510 | 0.2220 | 0.7320 | 0.0000 | O |
4 | 0.9870 | 0.3920 | 0.5270 | 0.0000 | O |
5 | 0.2700 | 0.0640 | 0.1300 | 0.0000 | O |
6 | 0.0600 | 0.2870 | 0.0340 | 0.0000 | H2O |
7 | 0.2860 | 0.4520 | 0.2950 | 0.0000 | H2O |