N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0435 | 0.0000 | Mn |
2 | 0.3333 | 0.6667 | 0.0000 | 0.0000 | C |
3 | 0.3333 | 0.6667 | 0.5345 | 0.0000 | S |
4 | 0.3333 | 0.6667 | 0.3867 | 0.0000 | O |
5 | 0.0024 | 0.2049 | 0.7936 | 0.0000 | Ca |
6 | 0.1963 | 0.6289 | 0.0000 | 0.0000 | O |
7 | 0.1937 | 0.5881 | 0.5763 | 0.0000 | O |
8 | 0.0045 | 0.1356 | 0.4319 | 0.0000 | O |
9 | 0.1356 | 0.1355 | 0.6479 | 0.0000 | O |
10 | 0.0179 | 0.3452 | 0.9834 | 0.0000 | O |
11 | 0.9859 | 0.3327 | 0.6148 | 0.0000 | O |
12 | 0.2531 | 0.4037 | 0.7809 | 0.0000 | O |
13 | 0.3987 | 0.2396 | 0.7897 | 0.0000 | O |