N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2149 | 0.8391 | 0.1941 | 1.3500 | Mo |
2 | 0.3713 | 0.0000 | 0.1976 | 1.3400 | Mo |
3 | 0.3750 | 0.0000 | 0.4235 | 1.6500 | Mo |
4 | 0.8653 | 0.0000 | 0.0592 | 1.4100 | As |
5 | 0.7500 | 0.7500 | 0.0000 | 1.7700 | Fe |
6 | 0.0000 | 0.0000 | 0.0000 | 2.0900 | Fe |
7 | 0.5000 | 0.0000 | 0.0000 | 6.2000 | K=0.6600 |
8 | 0.1558 | 0.8305 | 0.4928 | 4.2000 | Ca=0.4900 |
9 | 0.2105 | 0.0000 | 0.0891 | 1.7100 | O |
10 | 0.2381 | 0.0000 | 0.2834 | 1.8100 | O |
11 | 0.3420 | 0.8752 | 0.1036 | 2.0700 | O |
12 | 0.3493 | 0.8881 | 0.2862 | 1.4100 | O |
13 | 0.2168 | 0.7471 | 0.1010 | 1.9500 | O |
14 | 0.0939 | 0.8709 | 0.1005 | 1.9700 | O |
15 | 0.1507 | 0.8757 | 0.8932 | 2.2700 | O |
16 | 0.0258 | 0.0000 | 0.8898 | 2.3800 | O |
17 | 0.3695 | 0.8780 | 0.4864 | 2.9300 | O |
18 | 0.4886 | 0.0000 | 0.2937 | 2.3600 | O |
19 | 0.2353 | 0.7411 | 0.2939 | 2.6300 | O |
20 | 0.5000 | 0.0000 | 0.5000 | 3.1300 | O |
21 | 0.4727 | 0.8487 | 0.0715 | 4.9600 | O=0.6600 |
22 | 0.6246 | 0.0000 | 0.1637 | 2.6300 | O=0.6600 |
23 | 0.7818 | 0.0000 | 0.2148 | 8.5900 | O |
24 | 0.1279 | 0.9560 | 0.3436 | 3.7700 | O=0.4900 |
25 | 0.8898 | 0.0000 | 0.4584 | 10.9700 | O |
26 | 0.7039 | 0.9617 | 0.4053 | 5.5100 | O=0.4900 |
27 | 0.7627 | 0.7971 | 0.5021 | 5.7700 | O=0.4900 |
28 | 0.4768 | 0.6928 | 0.3483 | 3.6400 | O=0.4900 |
29 | 0.0599 | 0.7618 | 0.2794 | 6.5500 | O=0.4900 |