N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.5000 | 0.8900 | Fe |
2 | 0.0000 | 0.5000 | 0.0000 | 0.8500 | Fe |
3 | 0.3193 | 0.8513 | 0.1779 | 0.9100 | Fe |
4 | 0.7670 | 0.8203 | 0.1517 | 0.6800 | Fe |
5 | 0.0952 | 0.9382 | 0.0522 | 0.9800 | Fe |
6 | 0.5962 | 0.9435 | 0.0662 | 0.8200 | Fe |
7 | 0.9970 | 0.7428 | 0.2565 | 0.6200 | Ti |
8 | 0.2092 | 0.6289 | 0.3893 | 1.3300 | Na |
9 | 0.6627 | 0.6127 | 0.3733 | 1.4200 | Na |
10 | 0.4798 | 0.2333 | 0.3311 | 0.8200 | Si |
11 | 0.9879 | 0.2363 | 0.3456 | 0.6800 | Si |
12 | 0.7925 | 0.3435 | 0.2424 | 0.8400 | Si |
13 | 0.2782 | 0.3364 | 0.2257 | 0.8600 | Si |
14 | 0.6478 | 0.9448 | 0.4450 | 0.7600 | Si |
15 | 0.3525 | 0.5573 | 0.0501 | 0.7800 | Si |
16 | 0.3600 | 0.0684 | 0.1630 | 1.0200 | O |
17 | 0.8640 | 0.0688 | 0.1800 | 1.4100 | O |
18 | 0.5488 | 0.9535 | 0.2957 | 1.2000 | O |
19 | 0.0087 | 0.9233 | 0.2648 | 1.1900 | O |
20 | 0.2364 | 0.8751 | 0.3951 | 1.1900 | O |
21 | 0.7523 | 0.8821 | 0.3912 | 1.1000 | O |
22 | 0.4967 | 0.1947 | 0.4965 | 1.0000 | O |
23 | 0.9603 | 0.7756 | 0.4843 | 0.9800 | O |
24 | 0.9069 | 0.3300 | 0.3717 | 1.4400 | O |
25 | 0.4091 | 0.3408 | 0.3539 | 0.7500 | O |
26 | 0.6710 | 0.1773 | 0.0749 | 1.4400 | O |
27 | 0.1565 | 0.1694 | 0.0646 | 1.0200 | O |
28 | 0.5197 | 0.7094 | 0.0365 | 1.0400 | O |
29 | 0.0671 | 0.7334 | 0.0776 | 0.7800 | O |
30 | 0.2453 | 0.6098 | 0.1152 | 1.5100 | O |
31 | 0.7572 | 0.6022 | 0.1230 | 1.3900 | O |
32 | 0.4040 | 0.4995 | 0.1882 | 1.0100 | O |
33 | 0.9370 | 0.5164 | 0.2269 | 1.1500 | O |
34 | 0.1708 | 0.3661 | 0.3271 | 0.9100 | O |
35 | 0.6749 | 0.3640 | 0.3422 | 0.9300 | O |