| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0758 | 0.2374 | 0.1233 | 0.0000 | Cu |
| 2 | 0.0195 | 0.4853 | -0.0871 | 0.0000 | C |
| 3 | -0.0644 | 0.0235 | 0.0145 | 0.0000 | C |
| 4 | -0.0799 | 0.1454 | 0.0813 | 0.0000 | O |
| 5 | 0.0628 | 0.3670 | -0.1168 | 0.0000 | O |
| 6 | 0.1456 | 0.0621 | 0.0233 | 0.0000 | O |
| 7 | 0.0033 | 0.5833 | -0.1874 | 0.0000 | O |
| 8 | 0.2338 | 0.3016 | 0.1954 | 0.0000 | N |
| 9 | 0.2680 | 0.2350 | 0.2420 | 0.0000 | (H) |
| 10 | 0.2740 | 0.3430 | 0.1340 | 0.0000 | (H) |
| 11 | 0.2330 | 0.3490 | 0.2720 | 0.0000 | (H) |