N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3361 | 0.1061 | 0.9916 | 0.0000 | Ca |
2 | 0.3408 | 0.4106 | 0.5679 | 0.0000 | B |
3 | 0.0844 | 0.2662 | 0.4689 | 0.0000 | Si |
4 | 0.0374 | 0.4011 | 0.2405 | 0.0000 | O |
5 | 0.4573 | 0.3011 | 0.6702 | 0.0000 | O |
6 | 0.2105 | 0.3347 | 0.6751 | 0.0000 | O |
7 | 0.1460 | 0.0879 | 0.3150 | 0.0000 | O |
8 | 0.3368 | 0.4134 | 0.2585 | 0.0000 | O |
9 | 0.5840 | 0.5520 | 0.8290 | 0.0000 | H |