N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3325 | 0.2500 | 0.9679 | 0.0000 | Ca |
2 | 0.1956 | 0.0070 | 0.3361 | 0.0000 | K |
3 | 0.8391 | 0.2500 | 0.9893 | 0.0000 | S |
4 | 0.2666 | 0.2500 | 0.6373 | 0.0000 | S |
5 | 0.0191 | 0.2500 | 0.1186 | 0.0000 | O |
6 | 0.5018 | 0.2500 | 0.2249 | 0.0000 | O |
7 | 0.0533 | 0.2500 | 0.5305 | 0.0000 | O |
8 | 0.4495 | 0.2500 | 0.5655 | 0.0000 | O |
9 | 0.2816 | 0.0838 | 0.7308 | 0.0000 | O |
10 | 0.9405 | 0.2500 | 0.8664 | 0.0000 | O |
11 | 0.6938 | 0.0836 | 0.9815 | 0.0000 | O |
12 | 0.5710 | 0.1520 | 0.2490 | 0.0000 | H |