N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9926 | 0.1049 | 0.3365 | 0.0000 | Ca |
2 | 0.4707 | 0.2663 | 0.0845 | 0.0000 | B |
3 | 0.5870 | 0.4060 | 0.3440 | 0.0000 | Si |
4 | 0.2410 | 0.3990 | 0.0400 | 0.0000 | O |
5 | 0.6840 | 0.2960 | 0.4570 | 0.0000 | O |
6 | 0.6900 | 0.3310 | 0.2100 | 0.0000 | O |
7 | 0.3190 | 0.0870 | 0.1440 | 0.0000 | O |
8 | 0.2660 | 0.4130 | 0.3360 | 0.0000 | O |