N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.0786 | 0.2500 | 0.5700 | Ca |
2 | 0.0000 | 0.0787 | 0.7500 | 0.5000 | S |
3 | 0.9616 | 0.1326 | 0.5512 | 1.1800 | O |
4 | 0.7571 | 0.0215 | 0.6653 | 0.9700 | O |
5 | 0.3784 | 0.1826 | 0.4654 | 1.7500 | O |
6 | 0.2504 | 0.1615 | 0.5009 | 3.5200 | H |
7 | 0.4023 | 0.2435 | 0.4900 | 3.0700 | H |