N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1928 | 0.0085 | 0.0589 | 1.1600 | Si |
2 | 0.3073 | 0.0059 | 0.0603 | 1.1200 | Si |
3 | 0.0951 | 0.0573 | -0.2531 | 1.2000 | Si |
4 | 0.4057 | 0.0572 | -0.2563 | 1.2000 | Si |
5 | 0.2530 | 0.1593 | 0.8494 | 1.0500 | Si |
6 | 0.2470 | 0.1524 | 0.6213 | 1.0700 | Si |
7 | 0.1602 | 0.0972 | 0.9218 | 1.1400 | Si |
8 | 0.1567 | 0.0864 | 0.5580 | 1.1600 | Si |
9 | 0.3420 | 0.0946 | 0.9247 | 1.0700 | Si |
10 | 0.3405 | 0.0885 | 0.5605 | 1.1300 | Si |
11 | 0.1247 | 0.0000 | 0.2500 | 0.9500 | Si |
12 | 0.3750 | 0.0000 | 0.2500 | 1.0700 | Si |
13 | 0.2516 | 0.2484 | 0.0000 | 0.9500 | Si |
14 | 0.0381 | 0.1801 | 0.0094 | 3.7000 | O |
15 | 0.0590 | 0.1833 | 0.4985 | 3.2800 | O |
16 | 0.0702 | 0.1163 | 0.1389 | 3.1400 | O |
17 | 0.0676 | 0.1362 | 0.3300 | 2.6500 | O |
18 | 0.1171 | 0.1997 | 0.1116 | 3.3800 | O |
19 | 0.1329 | 0.2031 | 0.3822 | 3.2600 | O |
20 | 0.3175 | 0.0499 | 0.9831 | 3.6700 | O |
21 | 0.3197 | 0.0464 | 0.4893 | 3.5800 | O |
22 | 0.3816 | 0.0735 | 0.8476 | 3.1400 | O |
23 | 0.3667 | 0.0638 | 0.6550 | 2.9400 | O |
24 | 0.2995 | 0.1234 | 0.8651 | 2.7800 | O |
25 | 0.2957 | 0.1220 | 0.5972 | 4.2800 | O |
26 | 0.1590 | 0.0093 | 0.1556 | 3.2900 | O |
27 | 0.3407 | 0.0142 | 0.1569 | 2.6000 | O |
28 | 0.0469 | 0.0903 | 0.7696 | 2.8100 | O |
29 | 0.4538 | 0.0906 | -0.2785 | 2.2900 | O |
30 | 0.2604 | 0.2094 | 0.9119 | 2.1200 | O |
31 | 0.2412 | 0.1970 | 0.5445 | 2.7400 | O |
32 | 0.0791 | 0.0000 | 0.7500 | 2.1400 | O |
33 | 0.4225 | 0.0000 | 0.7500 | 1.9200 | O |
34 | 0.2499 | 0.1737 | -0.2670 | 1.7600 | O |
35 | -0.0068 | 0.2501 | 0.9075 | 2.2000 | O |
36 | 0.1185 | 0.1305 | 0.9741 | 3.2100 | O |
37 | 0.3687 | 0.1313 | 0.0000 | 3.5500 | O |
38 | 0.1208 | 0.3792 | 0.0000 | 4.1700 | O |
39 | 0.0000 | 0.0000 | 0.0000 | 37.7000 | N |
40 | 0.0000 | 0.5000 | 0.0000 | 41.6000 | N |
41 | 0.2503 | 0.1243 | 0.2617 | 30.7000 | N |
42 | 0.2506 | 0.0000 | 0.7500 | 6.1000 | C |