| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.6667 | 0.3333 | 0.0011 | 0.0000 | Ca |
| 2 | -0.0078 | 0.2418 | 0.2500 | 0.0000 | Ca |
| 3 | 0.3690 | 0.3985 | 0.2500 | 0.0000 | P |
| 4 | 0.4843 | 0.3260 | 0.2500 | 0.0000 | O |
| 5 | 0.4672 | 0.5882 | 0.2500 | 0.0000 | O |
| 6 | 0.2569 | 0.3417 | 0.0705 | 0.0000 | O |
| 7 | 0.0000 | 0.0000 | 0.2690 | 0.0000 | F=0.5000 |