N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3390 | 0.1080 | 0.9900 | 0.0000 | Ca |
2 | 0.3400 | 0.4100 | 0.5760 | 0.0000 | B |
3 | 0.0860 | 0.2620 | 0.4710 | 0.0000 | Si |
4 | 0.0400 | 0.3950 | 0.2420 | 0.0000 | O |
5 | 0.4600 | 0.3040 | 0.6710 | 0.0000 | O |
6 | 0.2100 | 0.3270 | 0.6760 | 0.0000 | O |
7 | 0.1420 | 0.0920 | 0.3200 | 0.0000 | O |
8 | 0.3360 | 0.4150 | 0.2580 | 0.0000 | OH |