N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 3.4000 | Fe |
2 | 0.0000 | 0.0000 | 0.5000 | 3.6000 | Fe |
3 | 0.0000 | 0.0000 | 0.2507 | 3.2000 | Fe |
4 | 0.0000 | 0.0000 | 0.1667 | 3.2000 | Fe |
5 | 0.0000 | 0.0000 | 0.6652 | 3.5000 | Fe |
6 | 0.2490 | 0.4169 | 0.8756 | 1.8000 | S |
7 | 0.5840 | 0.7554 | 0.9593 | 1.8000 | S |
8 | 0.3250 | 0.3490 | 0.8650 | 2.4000 | O |
9 | 0.6550 | 0.6820 | 0.9697 | 2.7000 | O |
10 | 0.1140 | 0.3100 | 0.8855 | 2.5000 | O |
11 | 0.6850 | 0.8920 | 0.9486 | 2.4000 | O |
12 | 0.2230 | 0.4930 | 0.8545 | 2.1000 | O |
13 | 0.5040 | 0.7780 | 0.9807 | 2.1000 | O |
14 | 0.3390 | 0.5200 | 0.8960 | 1.7000 | O |
15 | 0.4810 | 0.6620 | 0.9388 | 2.0000 | O |
16 | 0.1710 | 0.0730 | 0.8553 | 2.5000 | O |
17 | 0.9290 | 0.8260 | 0.9787 | 2.9000 | O |
18 | 0.4460 | 0.1140 | 0.9016 | 2.8000 | O |
19 | 0.8860 | 0.5500 | 0.9290 | 2.7000 | O |
20 | 0.5960 | 0.4340 | 0.8552 | 2.7000 | O |
21 | 0.5750 | 0.4100 | 0.9755 | 2.9000 | O |