N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4801 | 0.1722 | -0.0091 | 0.0000 | Ca |
2 | 0.0916 | 0.0147 | 0.1336 | 0.0000 | Te |
3 | 0.2632 | 0.2619 | 0.2573 | 1.7000 | C |
4 | 0.3553 | 0.3614 | 0.2760 | 0.6000 | O |
5 | 0.2283 | 0.1962 | 0.3503 | 1.2000 | O |
6 | 0.2158 | 0.2285 | 0.1398 | 0.7000 | O |
7 | 0.5226 | 0.3919 | 0.0270 | 1.2000 | O |
8 | 0.1585 | 0.4970 | 0.0802 | 1.0000 | O |