N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6667 | 0.3333 | 0.0009 | 0.8500 | Ca=0.9830, Sr=0.0170 |
2 | -0.0085 | 0.2405 | 0.2500 | 0.7900 | Ca=0.9060, Sr=0.0940 |
3 | 0.3691 | 0.3984 | 0.2500 | 0.6000 | P |
4 | 0.4846 | 0.3269 | 0.2500 | 0.9500 | O |
5 | 0.4665 | 0.5877 | 0.2500 | 1.1300 | O |
6 | 0.2574 | 0.3416 | 0.0711 | 1.2600 | O |
7 | 0.0000 | 0.0000 | 0.2500 | 2.0000 | F |