N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.0800 | 0.2500 | 0.1000 | Ca |
2 | 0.0000 | 0.0767 | 0.7500 | 0.1000 | S |
3 | 0.9641 | 0.1328 | 0.5503 | 0.3000 | O |
4 | 0.7576 | 0.0219 | 0.6643 | 0.2800 | O |
5 | 0.3834 | 0.1824 | 0.4618 | 0.3200 | O |
6 | 0.2537 | 0.1666 | 0.5077 | 1.4300 | H |
7 | 0.4055 | 0.2448 | 0.4932 | 1.2900 | H |