| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 2 | 0.4885 | 0.0942 | 0.8642 | 0.0000 | Cu |
| 3 | 0.8769 | 0.1544 | 0.4552 | 0.0000 | Mo |
| 4 | 0.4320 | 0.2210 | 0.9770 | 0.0000 | O |
| 5 | 0.0960 | 0.0940 | 0.6420 | 0.0000 | O |
| 6 | 0.6000 | 0.1300 | 0.5540 | 0.0000 | O |
| 7 | 0.8660 | 0.1120 | 0.1490 | 0.0000 | O |
| 8 | 0.3410 | 0.0310 | 0.1230 | 0.0000 | OH |