N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.9900 | Cu |
2 | 0.8638 | 0.0939 | 0.4870 | 1.0500 | Cu |
3 | 0.4559 | 0.1546 | 0.8772 | 0.8600 | Mo |
4 | 0.9801 | 0.2234 | 0.4358 | 1.9000 | O |
5 | 0.6505 | 0.0918 | 0.1009 | 1.8000 | O |
6 | 0.5532 | 0.1299 | 0.5938 | 1.5000 | O |
7 | 0.1448 | 0.1130 | 0.8730 | 1.4000 | O |
8 | 0.1321 | 0.0306 | 0.3405 | 1.0000 | O |
9 | 0.2700 | 0.0480 | 0.3500 | 1.0000 | H |