| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | Cu |
| 2 | 0.2050 | 0.0000 | 0.0000 | 0.0000 | Cu=0.7000 |
| 3 | 0.2683 | 0.2683 | 0.2683 | 0.0000 | Te=0.7000, Sb=0.2000, As=0.1000 |
| 4 | 0.1100 | 0.1100 | 0.3560 | 0.0000 | (S)=0.9400, (Se)=0.0600 |
| 5 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (S)=0.2500 |