Table 4. Atomic sites for the cubic α-In2S3 (space group 227, origin choice No. 2).
| Atom | Wickoff | x | y | z | U iso | Occ. |
|---|---|---|---|---|---|---|
| S1 | 32e | 0.2564 (2) | 0.2564 (2) | 0.2564 (2) | 0.0347 (11) | 1.0 |
| In1 | 8a | 1/8 | 1/8 | 1/8 | 0.0306 (9) | 0.64 (4) |
| In2 | 16d | 1/2 | 1/2 | 1/2 | 0.0445 (6) | 0.978 (6) |
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