N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6346 | 0.2830 | 0.4732 | 1.0200 | Ca |
2 | 0.6588 | 0.4875 | 0.0909 | 1.0800 | Ca |
3 | 0.9394 | 0.5961 | -0.0749 | 1.3400 | Fe |
4 | 0.9811 | 0.0000 | 0.2961 | 2.3200 | (Cl) |
5 | 0.8966 | 0.3404 | 0.3122 | 1.0600 | B |
6 | 0.6114 | 0.5806 | -0.3044 | 0.9000 | B |
7 | 0.4616 | 0.7360 | 0.1648 | 1.0600 | B |
8 | 0.1575 | 0.6538 | 0.1801 | 0.9300 | B |
9 | 0.8831 | 0.3442 | 0.0269 | 0.0900 | B |
10 | 0.4685 | 0.2360 | 0.0994 | 1.1000 | B |
11 | 0.0729 | 0.4010 | 0.2008 | 1.0000 | B |
12 | 0.7225 | 0.3678 | -0.1977 | 0.8300 | B |
13 | 0.5439 | 0.5887 | -0.5904 | 1.0400 | B |
14 | 0.8288 | 0.3293 | 0.1697 | 1.0800 | O |
15 | 0.0110 | 0.3706 | 0.3326 | 1.2700 | O |
16 | 0.8380 | 0.3258 | 0.4385 | 1.7400 | O |
17 | 0.6768 | 0.4228 | -0.3244 | 0.9700 | O |
18 | 0.5551 | 0.6479 | -0.4319 | 1.2300 | O |
19 | 0.6053 | 0.6277 | -0.1577 | 1.5100 | O |
20 | 0.5328 | 0.6873 | 0.0640 | 1.3500 | O |
21 | 0.6270 | 0.3244 | -0.1104 | 1.1100 | O |
22 | 0.5234 | 0.1989 | -0.3174 | 1.2700 | O |
23 | 0.7679 | 0.2444 | -0.2691 | 1.0300 | O |
24 | 0.1485 | 0.5218 | 0.2388 | 1.3800 | O |
25 | 0.0984 | 0.6988 | 0.0378 | 1.1300 | O |
26 | 0.8083 | 0.4344 | -0.0826 | 0.8900 | O |
27 | 0.9917 | 0.4220 | 0.0594 | 0.9700 | O |
28 | 0.5863 | 0.2437 | 0.1914 | 1.7300 | O |
29 | 0.4213 | 0.3782 | 0.0972 | 3.0800 | O |
30 | 0.8560 | 0.7706 | -0.1776 | 1.5800 | O |
31 | 0.6533 | 0.5499 | 0.3554 | 1.3600 | O |
32 | 0.4807 | 0.4531 | 0.4003 | 1.4900 | O |
33 | 0.7105 | 0.0362 | 0.4648 | 3.2200 | O |
34 | 0.7159 | 0.9951 | 0.1420 | 4.8200 | O |
35 | 0.8714 | 0.6798 | 0.4426 | 3.5100 | O |
36 | 0.8311 | 0.6689 | 0.1294 | 2.6500 | O |
37 | 0.8820 | 0.3470 | 0.5200 | 5.0000 | H |
38 | 0.6200 | 0.1660 | 0.1620 | 5.0000 | H |
39 | 0.4090 | 0.3950 | 0.1820 | 5.0000 | H |
40 | 0.1990 | 0.2830 | 0.1860 | 5.0000 | H |
41 | 0.7130 | 0.5970 | 0.4050 | 5.0000 | H |
42 | 0.4260 | 0.4620 | 0.4340 | 5.0000 | H |
43 | 0.7680 | 0.0370 | 0.5470 | 5.0000 | H |
44 | 0.7240 | 0.0100 | 0.3900 | 5.0000 | H |
45 | 0.2290 | 0.5110 | -0.1310 | 5.0000 | H |
46 | 0.3230 | 0.4560 | -0.0660 | 5.0000 | H |
47 | 0.0880 | 0.1210 | 0.4970 | 5.0000 | H |
48 | 0.1170 | 0.2570 | 0.5400 | 5.0000 | H |
49 | 0.8170 | 0.7510 | 0.1090 | 5.0000 | H |
50 | 0.8610 | 0.6780 | 0.2220 | 5.0000 | H |