N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Fe |
2 | 0.3461 | 0.1775 | 0.2781 | 0.0000 | S |
3 | 0.3333 | 0.6667 | 0.0951 | 0.0000 | N |
4 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | K |
5 | 0.0000 | 0.0000 | 0.1285 | 0.0000 | Na |
6 | 0.6440 | 0.8170 | 0.0907 | 0.0000 | Na |
7 | 0.5046 | 0.2737 | 0.2830 | 0.0000 | O |
8 | 0.2824 | 0.1394 | 0.3312 | 0.0000 | O |
9 | 0.2953 | 0.2600 | 0.2489 | 0.0000 | O |
10 | 0.3212 | 0.0515 | 0.2485 | 0.0000 | O |
11 | 0.1200 | 0.8994 | 0.1700 | 0.0000 | O |
12 | 0.4016 | 0.7990 | 0.0951 | 0.0000 | O |
13 | 0.7740 | 0.8190 | 0.1920 | 0.0000 | H |
14 | 0.7720 | 0.9340 | 0.1900 | 0.0000 | H |