N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4014 | 0.7500 | 0.2499 | 0.0000 | Al=0.6160, Ta=0.2580 |
2 | 0.5576 | 0.6105 | 0.4731 | 0.0000 | Al |
3 | 0.0593 | 0.4905 | 0.4318 | 0.0000 | Al=0.9820 |
4 | 0.0599 | 0.3597 | 0.2901 | 0.0000 | Al=0.9370 |
5 | 0.0889 | 0.7500 | 0.4064 | 0.0000 | Si=0.8100, As=0.0900 |
6 | 0.1140 | 0.7500 | 0.3853 | 0.0000 | Sb=0.1000 |
7 | 0.5888 | 0.5231 | 0.3288 | 0.0000 | Si=0.8100, As=0.0600 |
8 | 0.6092 | 0.5636 | 0.3168 | 0.0000 | Sb=0.1300 |
9 | 0.3784 | 0.7500 | 0.4564 | 0.0000 | O |
10 | 0.1569 | 0.7500 | 0.3304 | 0.0000 | O=0.9000 |
11 | 0.8928 | 0.6389 | 0.4551 | 0.0000 | O |
12 | 0.4029 | 0.4341 | 0.2822 | 0.0000 | O |
13 | 0.3957 | 0.5509 | 0.3944 | 0.0000 | O |
14 | 0.8831 | 0.4509 | 0.3512 | 0.0000 | O |
15 | 0.6593 | 0.6331 | 0.2886 | 0.0000 | O=0.8700 |
16 | 0.1715 | 0.2500 | 0.3493 | 0.0000 | O |
17 | 0.2536 | 0.3506 | 0.4476 | 0.0000 | O |
18 | 0.7567 | 0.2500 | 0.2739 | 0.0000 | O |
19 | 0.7511 | 0.4669 | 0.4887 | 0.0000 | O |
20 | 0.2310 | 0.2500 | 0.4665 | 0.0000 | B |