N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2048 | 0.3776 | 0.7243 | 0.0000 | As |
2 | 0.2978 | 0.9414 | 0.2087 | 0.0000 | As |
3 | 0.3024 | 0.4323 | 0.2796 | 0.0000 | Ca |
4 | 0.1724 | 0.8339 | 0.6606 | 0.0000 | Ca |
5 | 0.3219 | 0.3363 | 0.9531 | 0.0000 | O |
6 | 0.3565 | 0.4976 | 0.6274 | 0.0000 | O |
7 | 0.1361 | 0.1656 | 0.5893 | 0.0000 | O |
8 | 0.0235 | 0.5384 | 0.7410 | 0.0000 | O |
9 | 0.3366 | 0.8260 | 0.0003 | 0.0000 | O |
10 | 0.4650 | 0.1132 | 0.3036 | 0.0000 | O |
11 | 0.0819 | 0.0651 | 0.1601 | 0.0000 | O |
12 | 0.2878 | 0.7757 | 0.3537 | 0.0000 | O |