N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3590 | 0.0000 | 0.0000 | 0.1900 | Ta |
2 | 0.3333 | 0.6667 | 0.2500 | 0.2200 | Ta=0.8600, Nb=0.1300 |
3 | 0.3333 | 0.6667 | 0.7500 | 0.3500 | Ca=0.9400, Na=0.0600 |
4 | 0.3750 | 0.9430 | 0.1554 | 0.4000 | O |
5 | 0.7570 | 0.0000 | 0.0000 | 0.1000 | O |
6 | 0.3333 | 0.6667 | 0.9663 | 0.1000 | O |