N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2533 | 0.6791 | 0.5481 | 0.0000 | Fe |
2 | 0.2609 | 0.3385 | 0.7129 | 0.0000 | S |
3 | 0.2064 | 0.5410 | 0.3952 | 0.0000 | (Cl) |
4 | 0.0511 | 0.7035 | 0.5252 | 0.0000 | H2O |
5 | 0.2462 | 0.9553 | 0.4987 | 0.0000 | H2O |
6 | 0.4518 | 0.6800 | 0.5769 | 0.0000 | H2O |
7 | 0.2886 | 0.8070 | 0.6885 | 0.0000 | H2O |
8 | 0.2776 | 0.4292 | 0.6213 | 0.0000 | O |
9 | 0.4705 | 0.1754 | 0.5695 | 0.0000 | H2O |
10 | 0.3537 | 0.1746 | 0.7401 | 0.0000 | O |
11 | 0.1220 | 0.2755 | 0.6839 | 0.0000 | O |
12 | 0.2969 | 0.4797 | 0.7956 | 0.0000 | O |
13 | 0.0267 | 0.0801 | 0.3451 | 0.0000 | H2O |