N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8971 | 0.5593 | 0.4184 | 0.0000 | Na |
2 | 0.8721 | 0.0874 | 0.4335 | 0.0000 | Na |
3 | 0.6916 | 0.3123 | 0.2478 | 0.0000 | Zr |
4 | 0.0000 | 0.3079 | 0.2500 | 0.0000 | Ti |
5 | 0.1499 | 0.3512 | 0.3996 | 0.0000 | C |
6 | 0.5942 | 0.3353 | 0.3834 | 0.0000 | C |
7 | 0.0374 | 0.3073 | 0.3643 | 0.0000 | O |
8 | 0.7195 | 0.3316 | 0.3723 | 0.0000 | O |
9 | 0.1360 | 0.5034 | 0.2400 | 0.0000 | O |
10 | 0.8638 | 0.1207 | 0.2630 | 0.0000 | O |
11 | 0.1547 | 0.4306 | 0.4624 | 0.0000 | O |
12 | 0.5195 | 0.3091 | 0.3215 | 0.0000 | O |
13 | 0.2593 | 0.3159 | 0.3673 | 0.0000 | O |
14 | 0.5488 | 0.3568 | 0.4450 | 0.0000 | O |