The structure described by InAlS3 crystallizes in the hexagonal P6_1 space group. In(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form InS5 trigonal bipyramids that share corners with four equivalent Al(1)S4 tetrahedra,  an edgeedge with one Al(1)S4 tetrahedra, and edges with two equivalent In(1)S5 trigonal bipyramids. Al(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with two equivalent Al(1)S4 tetrahedra, corners with four equivalent In(1)S5 trigonal bipyramids, and  an edgeedge with one In(1)S5 trigonal bipyramid. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Al(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent Al(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent In(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_AlInS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.770
_cell_length_c   17.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   713.388
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.668  0.985  0.487  1.0
  Al  Al1  1  0.317  0.331  0.154  1.0
  Al  Al2  1  0.332  0.015  0.987  1.0
  Al  Al3  1  0.683  0.669  0.654  1.0
  Al  Al4  1  0.985  0.317  0.321  1.0
  Al  Al5  1  0.015  0.683  0.821  1.0
  In  In6  1  0.669  0.667  0.292  1.0
  In  In7  1  0.667  0.997  0.125  1.0
  In  In8  1  0.998  0.331  0.959  1.0
  In  In9  1  0.002  0.669  0.459  1.0
  In  In10  1  0.333  0.003  0.625  1.0
  In  In11  1  0.331  0.333  0.792  1.0
  S  S12  1  0.963  0.331  0.809  1.0
  S  S13  1  0.294  0.003  0.114  1.0
  S  S14  1  0.368  0.337  0.940  1.0
  S  S15  1  0.003  0.709  0.947  1.0
  S  S16  1  0.331  0.368  0.642  1.0
  S  S17  1  0.969  0.632  0.607  1.0
  S  S18  1  0.997  0.291  0.447  1.0
  S  S19  1  0.632  0.663  0.440  1.0
  S  S20  1  0.669  0.632  0.142  1.0
  S  S21  1  0.291  0.294  0.281  1.0
  S  S22  1  0.633  0.964  0.976  1.0
  S  S23  1  0.709  0.706  0.781  1.0
  S  S24  1  0.337  0.969  0.773  1.0
  S  S25  1  0.367  0.036  0.476  1.0
  S  S26  1  0.706  0.997  0.614  1.0
  S  S27  1  0.037  0.669  0.309  1.0
  S  S28  1  0.031  0.368  0.107  1.0
  S  S29  1  0.663  0.031  0.273  1.0
[/CIF]
.
The structure described by InAlS3 crystallizes in the hexagonal P6_1 space group. In(1) is bonded to one S(2), two equivalent S(1), and two equivalent S(3) atoms to form InS5 trigonal bipyramids that share corners with four equivalent Al(1)S4 tetrahedra,  an edgeedge with one Al(1)S4 tetrahedra, and edges with two equivalent In(1)S5 trigonal bipyramids. Al(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with two equivalent Al(1)S4 tetrahedra, corners with four equivalent In(1)S5 trigonal bipyramids, and  an edgeedge with one In(1)S5 trigonal bipyramid. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent In(1) and one Al(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one In(1) and two equivalent Al(1) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to two equivalent In(1) and one Al(1) atom. is represented by the CIF card [CIF]
data_AlInS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.771
_cell_length_b   6.770
_cell_length_c   17.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   713.388
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.668  0.985  0.487  1.0
  Al  Al1  1  0.317  0.331  0.154  1.0
  Al  Al2  1  0.332  0.015  0.987  1.0
  Al  Al3  1  0.683  0.669  0.654  1.0
  Al  Al4  1  0.985  0.317  0.321  1.0
  Al  Al5  1  0.015  0.683  0.821  1.0
  In  In6  1  0.669  0.667  0.292  1.0
  In  In7  1  0.667  0.997  0.125  1.0
  In  In8  1  0.998  0.331  0.959  1.0
  In  In9  1  0.002  0.669  0.459  1.0
  In  In10  1  0.333  0.003  0.625  1.0
  In  In11  1  0.331  0.333  0.792  1.0
  S  S12  1  0.963  0.331  0.809  1.0
  S  S13  1  0.294  0.003  0.114  1.0
  S  S14  1  0.368  0.337  0.940  1.0
  S  S15  1  0.003  0.709  0.947  1.0
  S  S16  1  0.331  0.368  0.642  1.0
  S  S17  1  0.969  0.632  0.607  1.0
  S  S18  1  0.997  0.291  0.447  1.0
  S  S19  1  0.632  0.663  0.440  1.0
  S  S20  1  0.669  0.632  0.142  1.0
  S  S21  1  0.291  0.294  0.281  1.0
  S  S22  1  0.633  0.964  0.976  1.0
  S  S23  1  0.709  0.706  0.781  1.0
  S  S24  1  0.337  0.969  0.773  1.0
  S  S25  1  0.367  0.036  0.476  1.0
  S  S26  1  0.706  0.997  0.614  1.0
  S  S27  1  0.037  0.669  0.309  1.0
  S  S28  1  0.031  0.368  0.107  1.0
  S  S29  1  0.663  0.031  0.273  1.0
[/CIF]
.