| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.1280 | 0.2530 | 0.4260 | 0.0000 | Ca |
| 2 | 0.0000 | 0.0030 | 0.7500 | 0.0000 | Cu |
| 3 | 0.3670 | -0.2460 | 0.5650 | 0.0000 | V |
| 4 | 0.1960 | -0.2650 | 0.6700 | 0.0000 | O |
| 5 | 0.5400 | -0.2260 | 0.6680 | 0.0000 | O |
| 6 | 0.3800 | 0.5160 | 0.4560 | 0.0000 | O |
| 7 | 0.3790 | -0.0130 | 0.4470 | 0.0000 | O |
| 8 | 0.1420 | 0.2600 | 0.6910 | 0.0000 | OH |