| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | Cu=0.8500 |
| 2 | 0.2090 | 0.0000 | 0.0000 | 0.0000 | Cu=0.9830 |
| 3 | 0.2628 | 0.2628 | 0.2628 | 0.0000 | Te=0.6250, Sb=0.2500, As=0.1250 |
| 4 | 0.1200 | 0.1200 | 0.3600 | 0.0000 | (S)=0.9400, (Se)=0.0600 |
| 5 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (S)=0.7000 |