| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 2 | 0.6667 | 0.3333 | 0.0202 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 3 | 0.3333 | 0.6667 | 0.0409 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 4 | 0.0000 | 0.0000 | 0.0660 | 0.0000 | Bi=0.9900, Te=0.0100 |
| 5 | 0.6667 | 0.3333 | 0.0872 | 0.0000 | Bi=0.9900, Te=0.0100 |
| 6 | 0.3333 | 0.6667 | 0.1121 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 7 | 0.0000 | 0.0000 | 0.1327 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 8 | 0.6667 | 0.3333 | 0.1536 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 9 | 0.3333 | 0.6667 | 0.1737 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 10 | 0.0000 | 0.0000 | 0.1959 | 0.0000 | (Te) |
| 11 | 0.6667 | 0.3333 | 0.2275 | 0.0000 | (Te) |
| 12 | 0.3333 | 0.6667 | 0.2502 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 13 | 0.0000 | 0.0000 | 0.2706 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 14 | 0.6667 | 0.3333 | 0.2905 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 15 | 0.3333 | 0.6667 | 0.3110 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 16 | 0.0000 | 0.0000 | 0.3362 | 0.0000 | Bi=0.9900, Te=0.0100 |
| 17 | 0.6667 | 0.3333 | 0.3577 | 0.0000 | Bi=0.9900, Te=0.0100 |
| 18 | 0.3333 | 0.6667 | 0.3825 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 19 | 0.0000 | 0.0000 | 0.4023 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 20 | 0.6667 | 0.3333 | 0.4236 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 21 | 0.3333 | 0.6667 | 0.4444 | 0.0000 | Bi=0.8600, Te=0.1400 |
| 22 | 0.0000 | 0.0000 | 0.4641 | 0.0000 | (Se)=0.9000, (S)=0.1000 |
| 23 | 0.6667 | 0.3333 | 0.4895 | 0.0000 | Bi=0.8600, Te=0.1400 |