N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.0797 | 0.2500 | 0.0000 | Ca |
2 | 0.0000 | 0.0770 | 0.7500 | 0.0000 | S |
3 | 0.9632 | 0.1319 | 0.5505 | 0.0000 | O |
4 | 0.7582 | 0.0223 | 0.6671 | 0.0000 | O |
5 | 0.3796 | 0.1821 | 0.4588 | 0.0000 | O |
6 | 0.2511 | 0.1616 | 0.5037 | 0.0000 | H |
7 | 0.4046 | 0.2427 | 0.4922 | 0.0000 | H |