N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0909 | 0.0909 | 0.0909 | 0.0000 | Cu=0.2600, Fe=0.0500 |
2 | 0.1295 | 0.1295 | 0.1069 | 0.0000 | Cu=0.0600, Fe=0.0100 |
3 | 0.3614 | 0.1386 | 0.1133 | 0.0000 | Cu=0.2800, Fe=0.0500 |
4 | 0.2535 | 0.0000 | 0.0000 | 0.0000 | (S) |
5 | 0.2500 | 0.2500 | 0.2500 | 0.0000 | (S) |