| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.6212 | 0.7500 | 0.4615 | 0.0000 | Cu |
| 2 | 0.3821 | 0.2500 | 0.2808 | 0.0000 | K |
| 3 | 0.1193 | 0.7500 | 0.4050 | 0.0000 | K |
| 4 | 0.6026 | 0.2500 | 0.4515 | 0.0000 | (Cl) |
| 5 | 0.8402 | 0.7500 | 0.5526 | 0.0000 | (Cl) |
| 6 | 0.6296 | 0.7500 | 0.3024 | 0.0000 | S |
| 7 | 0.7758 | 0.7500 | 0.3629 | 0.0000 | O |
| 8 | 0.6324 | 0.9481 | 0.2518 | 0.0000 | O |
| 9 | 0.4752 | 0.7500 | 0.3587 | 0.0000 | O |