| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | Cu=0.8170 |
| 2 | 0.2140 | 0.0000 | 0.0000 | 0.0000 | Cu=0.9000 |
| 3 | 0.2636 | 0.2636 | 0.2636 | 0.0000 | Te=0.6500, Sb=0.1750, As=0.1750 |
| 4 | 0.1140 | 0.1140 | 0.3600 | 0.0000 | (S)=0.9500, (Se)=0.0500 |
| 5 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (S)=0.4500 |