The crystal structure described by La3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third La site, La(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted LaS7 pentagonal bipyramids that share  a cornercorner with one In(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent La(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent La(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted InS4 tetrahedra that share corners with two equivalent La(3)S7 pentagonal bipyramids. There are six inequivalent S sites. In the first S site, S(5) is bonded to one La(2), two equivalent La(1), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(2)La4In square pyramids,  a cornercorner with one S(6)La3In2 trigonal bipyramid, corners with two equivalent S(4)La5 trigonal bipyramids, corners with four equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(2)La4In square pyramid, edges with two equivalent S(6)La3In2 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, edges with three equivalent S(4)La5 trigonal bipyramids, and  an edgeedge with one S(3)La3In trigonal pyramid. In the second S site, S(6) is bonded to one La(1), one La(2), one La(3), and two equivalent In(1) atoms to form SLa3In2 trigonal bipyramids that share  a cornercorner with one S(4)La5 trigonal bipyramid,  a cornercorner with one S(5)La5 trigonal bipyramid, corners with four equivalent S(6)La3In2 trigonal bipyramids, corners with three equivalent S(3)La3In trigonal pyramids, edges with four equivalent S(2)La4In square pyramids,  an edgeedge with one S(6)La3In2 trigonal bipyramid, edges with two equivalent S(4)La5 trigonal bipyramids, and edges with two equivalent S(5)La5 trigonal bipyramids. In the third S site, S(1) is bonded in a distorted see-saw-like geometry to one La(1), two equivalent La(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent La(2), two equivalent La(3), and one In(1) atom to form SLa4In square pyramids that share  a cornercorner with one S(2)La4In square pyramid, corners with four equivalent S(4)La5 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids, corners with two equivalent S(3)La3In trigonal pyramids, edges with two equivalent S(2)La4In square pyramids,  an edgeedge with one S(4)La5 trigonal bipyramid,  an edgeedge with one S(5)La5 trigonal bipyramid, and edges with four equivalent S(6)La3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one La(3), two equivalent La(1), and one In(2) atom to form SLa3In trigonal pyramids that share corners with two equivalent S(2)La4In square pyramids, corners with two equivalent S(4)La5 trigonal bipyramids, corners with three equivalent S(6)La3In2 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids, corners with three equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(5)La5 trigonal bipyramid, and  a faceface with one S(4)La5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one La(3), two equivalent La(1), and two equivalent La(2) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(2)La4In square pyramids,  a cornercorner with one S(6)La3In2 trigonal bipyramid, corners with two equivalent S(5)La5 trigonal bipyramids, corners with two equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(2)La4In square pyramid, edges with two equivalent S(6)La3In2 trigonal bipyramids, edges with two equivalent S(4)La5 trigonal bipyramids, edges with three equivalent S(5)La5 trigonal bipyramids, and  a faceface with one S(3)La3In trigonal pyramid. is represented by the CIF file [CIF]
data_La3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   14.005
_cell_length_c   16.982
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   972.030
_cell_formula_units_Z   4
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
  La  La0  1  0.252  0.036  0.780  1.0
  La  La1  1  0.253  0.964  0.220  1.0
  La  La2  1  0.747  0.464  0.280  1.0
  La  La3  1  0.748  0.536  0.720  1.0
  La  La4  1  0.257  0.249  0.610  1.0
  La  La5  1  0.257  0.751  0.390  1.0
  La  La6  1  0.743  0.251  0.110  1.0
  La  La7  1  0.743  0.749  0.890  1.0
  La  La8  1  0.746  0.309  0.858  1.0
  La  La9  1  0.746  0.691  0.142  1.0
  La  La10  1  0.254  0.191  0.358  1.0
  La  La11  1  0.254  0.809  0.642  1.0
  In  In12  1  0.753  1.000  0.500  1.0
  In  In13  1  0.247  0.500  1.000  1.0
  In  In14  1  0.416  0.500  0.500  1.0
  In  In15  1  0.584  0.000  0.000  1.0
  S  S16  1  0.762  0.398  0.587  1.0
  S  S17  1  0.763  0.602  0.412  1.0
  S  S18  1  0.237  0.102  0.087  1.0
  S  S19  1  0.237  0.898  0.913  1.0
  S  S20  1  0.246  0.314  0.983  1.0
  S  S21  1  0.246  0.686  0.017  1.0
  S  S22  1  0.754  0.186  0.483  1.0
  S  S23  1  0.754  0.814  0.517  1.0
  S  S24  1  0.752  0.107  0.893  1.0
  S  S25  1  0.752  0.893  0.107  1.0
  S  S26  1  0.248  0.393  0.393  1.0
  S  S27  1  0.248  0.607  0.607  1.0
  S  S28  1  0.755  0.178  0.717  1.0
  S  S29  1  0.755  0.822  0.283  1.0
  S  S30  1  0.245  0.322  0.217  1.0
  S  S31  1  0.245  0.678  0.783  1.0
  S  S32  1  0.247  0.387  0.756  1.0
  S  S33  1  0.247  0.613  0.244  1.0
  S  S34  1  0.753  0.113  0.257  1.0
  S  S35  1  0.753  0.887  0.744  1.0
  S  S36  1  0.253  0.020  0.602  1.0
  S  S37  1  0.253  0.980  0.398  1.0
  S  S38  1  0.747  0.480  0.102  1.0
  S  S39  1  0.747  0.520  0.898  1.0
[/CIF]
.
The crystal structure described by La3InS6 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(1), one S(6), two equivalent S(3), two equivalent S(4), and two equivalent S(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the third La site, La(3) is bonded to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms to form distorted LaS7 pentagonal bipyramids that share  a cornercorner with one In(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent La(3)S7 pentagonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(2) and four equivalent S(6) atoms to form InS6 octahedra that share edges with two equivalent In(1)S6 octahedra and edges with four equivalent La(3)S7 pentagonal bipyramids. In the second In site, In(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted InS4 tetrahedra that share corners with two equivalent La(3)S7 pentagonal bipyramids. There are six inequivalent S sites. In the first S site, S(5) is bonded to one La(2), two equivalent La(1), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(2)La4In square pyramids,  a cornercorner with one S(6)La3In2 trigonal bipyramid, corners with two equivalent S(4)La5 trigonal bipyramids, corners with four equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(2)La4In square pyramid, edges with two equivalent S(6)La3In2 trigonal bipyramids, edges with two equivalent S(5)La5 trigonal bipyramids, edges with three equivalent S(4)La5 trigonal bipyramids, and  an edgeedge with one S(3)La3In trigonal pyramid. In the second S site, S(6) is bonded to one La(1), one La(2), one La(3), and two equivalent In(1) atoms to form SLa3In2 trigonal bipyramids that share  a cornercorner with one S(4)La5 trigonal bipyramid,  a cornercorner with one S(5)La5 trigonal bipyramid, corners with four equivalent S(6)La3In2 trigonal bipyramids, corners with three equivalent S(3)La3In trigonal pyramids, edges with four equivalent S(2)La4In square pyramids,  an edgeedge with one S(6)La3In2 trigonal bipyramid, edges with two equivalent S(4)La5 trigonal bipyramids, and edges with two equivalent S(5)La5 trigonal bipyramids. In the third S site, S(1) is bonded in a distorted see-saw-like geometry to one La(1), two equivalent La(2), and one In(2) atom. In the fourth S site, S(2) is bonded to two equivalent La(2), two equivalent La(3), and one In(1) atom to form SLa4In square pyramids that share  a cornercorner with one S(2)La4In square pyramid, corners with four equivalent S(4)La5 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids, corners with two equivalent S(3)La3In trigonal pyramids, edges with two equivalent S(2)La4In square pyramids,  an edgeedge with one S(4)La5 trigonal bipyramid,  an edgeedge with one S(5)La5 trigonal bipyramid, and edges with four equivalent S(6)La3In2 trigonal bipyramids. In the fifth S site, S(3) is bonded to one La(3), two equivalent La(1), and one In(2) atom to form SLa3In trigonal pyramids that share corners with two equivalent S(2)La4In square pyramids, corners with two equivalent S(4)La5 trigonal bipyramids, corners with three equivalent S(6)La3In2 trigonal bipyramids, corners with four equivalent S(5)La5 trigonal bipyramids, corners with three equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(5)La5 trigonal bipyramid, and  a faceface with one S(4)La5 trigonal bipyramid. In the sixth S site, S(4) is bonded to one La(3), two equivalent La(1), and two equivalent La(2) atoms to form distorted SLa5 trigonal bipyramids that share corners with four equivalent S(2)La4In square pyramids,  a cornercorner with one S(6)La3In2 trigonal bipyramid, corners with two equivalent S(5)La5 trigonal bipyramids, corners with two equivalent S(3)La3In trigonal pyramids,  an edgeedge with one S(2)La4In square pyramid, edges with two equivalent S(6)La3In2 trigonal bipyramids, edges with two equivalent S(4)La5 trigonal bipyramids, edges with three equivalent S(5)La5 trigonal bipyramids, and  a faceface with one S(3)La3In trigonal pyramid. is represented by the CIF file [CIF]
data_La3InS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.087
_cell_length_b   14.005
_cell_length_c   16.982
_cell_angle_alpha   89.998
_cell_angle_beta   90.002
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   972.030
_cell_formula_units_Z   4
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
  La  La0  1  0.252  0.036  0.780  1.0
  La  La1  1  0.253  0.964  0.220  1.0
  La  La2  1  0.747  0.464  0.280  1.0
  La  La3  1  0.748  0.536  0.720  1.0
  La  La4  1  0.257  0.249  0.610  1.0
  La  La5  1  0.257  0.751  0.390  1.0
  La  La6  1  0.743  0.251  0.110  1.0
  La  La7  1  0.743  0.749  0.890  1.0
  La  La8  1  0.746  0.309  0.858  1.0
  La  La9  1  0.746  0.691  0.142  1.0
  La  La10  1  0.254  0.191  0.358  1.0
  La  La11  1  0.254  0.809  0.642  1.0
  In  In12  1  0.753  1.000  0.500  1.0
  In  In13  1  0.247  0.500  1.000  1.0
  In  In14  1  0.416  0.500  0.500  1.0
  In  In15  1  0.584  0.000  0.000  1.0
  S  S16  1  0.762  0.398  0.587  1.0
  S  S17  1  0.763  0.602  0.412  1.0
  S  S18  1  0.237  0.102  0.087  1.0
  S  S19  1  0.237  0.898  0.913  1.0
  S  S20  1  0.246  0.314  0.983  1.0
  S  S21  1  0.246  0.686  0.017  1.0
  S  S22  1  0.754  0.186  0.483  1.0
  S  S23  1  0.754  0.814  0.517  1.0
  S  S24  1  0.752  0.107  0.893  1.0
  S  S25  1  0.752  0.893  0.107  1.0
  S  S26  1  0.248  0.393  0.393  1.0
  S  S27  1  0.248  0.607  0.607  1.0
  S  S28  1  0.755  0.178  0.717  1.0
  S  S29  1  0.755  0.822  0.283  1.0
  S  S30  1  0.245  0.322  0.217  1.0
  S  S31  1  0.245  0.678  0.783  1.0
  S  S32  1  0.247  0.387  0.756  1.0
  S  S33  1  0.247  0.613  0.244  1.0
  S  S34  1  0.753  0.113  0.257  1.0
  S  S35  1  0.753  0.887  0.744  1.0
  S  S36  1  0.253  0.020  0.602  1.0
  S  S37  1  0.253  0.980  0.398  1.0
  S  S38  1  0.747  0.480  0.102  1.0
  S  S39  1  0.747  0.520  0.898  1.0
[/CIF]
.