N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4469 | 0.0547 | 0.3504 | 1.6500 | Pb |
2 | 0.4392 | 0.0519 | 0.8422 | 2.0100 | Pb=0.5000, As=0.5000 |
3 | 0.9040 | 0.0412 | 0.3167 | 1.6500 | Pb |
4 | 0.9194 | 0.0526 | 0.8299 | 0.8500 | As |
5 | 0.2648 | 0.1423 | -0.0028 | 2.1000 | Pb |
6 | 0.2759 | 0.1428 | 0.5082 | 1.5400 | As |
7 | 0.7904 | 0.1507 | 0.0176 | 1.5400 | Pb |
8 | 0.7925 | 0.1502 | 0.5149 | 1.3800 | Pb |
9 | 0.1222 | 0.2500 | 0.1714 | 1.8800 | Pb |
10 | 0.1215 | 0.2500 | 0.6896 | 1.8300 | Pb |
11 | 0.6158 | 0.2265 | 0.1766 | 1.2500 | As=0.5000 |
12 | 0.5504 | 0.2500 | 0.6395 | 2.5500 | Pb=0.8800 |
13 | 0.3095 | 0.0031 | 0.0123 | 1.3400 | (S) |
14 | 0.3067 | 0.0051 | 0.5504 | 1.2200 | (S) |
15 | 0.0460 | 0.0862 | 0.1005 | 0.8900 | (S) |
16 | 0.0511 | 0.0853 | 0.6864 | 0.8800 | (S) |
17 | 0.6520 | 0.0969 | 0.2028 | 1.0400 | (S) |
18 | 0.6733 | 0.0910 | 0.7073 | 0.8700 | (S) |
19 | 0.4061 | 0.1767 | 0.3744 | 1.7100 | (S) |
20 | 0.4021 | 0.1774 | 0.7699 | 1.3800 | (S) |
21 | 0.0307 | 0.1791 | 0.3838 | 0.8600 | (S) |
22 | 0.9940 | 0.1935 | 0.8688 | 0.9200 | (S) |
23 | 0.3783 | 0.2617 | 0.0550 | 0.7900 | (S)=0.5000 |
24 | 0.7520 | 0.2500 | 0.0320 | 1.7600 | (S) |
25 | 0.7521 | 0.2500 | 0.4550 | 1.5600 | (S) |