N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.4800 | Fe |
2 | 0.1915 | 0.2500 | 0.2610 | 1.0900 | Fe |
3 | 0.1890 | 0.2500 | 0.5388 | 1.3000 | (Cl) |
4 | 0.4440 | 0.0520 | 0.2830 | 1.0000 | O |
5 | 0.1790 | 0.2500 | 0.0260 | 1.3000 | O |
6 | 0.0970 | 0.0740 | 0.6910 | 2.0000 | H |
7 | 0.3660 | 0.2500 | -0.0020 | 2.0000 | H |