Table 1. Structural information for the minimum energy compounds.
| Compound | Space group | a (Å) | b (Å) | c (Å) | Formula units per cell |
| Sn5S4Cl2 | Pma2 | 17.529 | 5.771 | 5.817 | 2 |
| Sn4SF6 | R3 | 8.615 | 8.615 | 9.528 | 3 |
| Cd5S4Cl2 | Cm | 14.507 | 4.212 | 15.631 | 2 |
| Cd4SF6 | R3m | 3.832 | 3.832 | 37.148 | 3 |