N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3687 | 0.1704 | 0.4761 | 0.0000 | Ca |
2 | 0.2405 | 0.5049 | 0.2558 | 0.0000 | Ni |
3 | 0.1182 | 0.1812 | 0.0165 | 0.0000 | As |
4 | 0.9451 | 0.0627 | 0.9894 | 0.0000 | O |
5 | 0.2839 | 0.0668 | 0.0842 | 0.0000 | O |
6 | 0.1463 | 0.2749 | 0.7678 | 0.0000 | O |
7 | 0.1024 | 0.2960 | 0.2430 | 0.0000 | O |
8 | 0.3978 | 0.4255 | 0.4967 | 0.0000 | O |
9 | 0.4750 | 0.9710 | 0.0100 | 0.0000 | H |