N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1786 | 0.1114 | 0.0181 | 0.3800 | Ca |
2 | 0.1045 | 0.2499 | 0.4898 | 0.4200 | P |
3 | 0.0943 | 0.3886 | -0.0008 | 1.2300 | Na |
4 | 0.0000 | 0.0000 | 0.5000 | 1.1000 | Na |
5 | 0.0385 | 0.2168 | 0.2560 | 0.8000 | O |
6 | 0.1036 | 0.3805 | 0.5230 | 1.0800 | O |
7 | 0.2277 | 0.2079 | 0.4540 | 0.7100 | O |
8 | 0.0498 | 0.1943 | 0.7210 | 0.8600 | O |
9 | 0.0000 | 0.0000 | 0.0000 | 0.9000 | F |