The structure described by Tb4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(4) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(2)S6 octahedra, corners with four equivalent In(3)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second In site, In(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra,  a cornercorner with one In(3)S4 tetrahedra, and edges with three equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(1)S6 octahedra, and corners with two equivalent In(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Tb(1), one Tb(2), and two equivalent In(3) atoms to form STb2In2 tetrahedra that share  a cornercorner with one S(4)TbIn3 tetrahedra, corners with two equivalent S(5)Tb2In2 tetrahedra, corners with four equivalent S(6)Tb2In2 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Tb(2), one In(2), and one In(3) atom to form STb2In2 tetrahedra that share corners with two equivalent S(6)Tb2In2 tetrahedra, corners with two equivalent S(4)TbIn3 tetrahedra, corners with four equivalent S(5)Tb2In2 tetrahedra, corners with three equivalent S(1)Tb4In trigonal bipyramids, and  an edgeedge with one S(1)Tb4In trigonal bipyramid. In the third S site, S(7) is bonded in a square co-planar geometry to four equivalent In(2) atoms. In the fourth S site, S(1) is bonded to two equivalent Tb(1), two equivalent Tb(2), and one In(2) atom to form distorted STb4In trigonal bipyramids that share corners with three equivalent S(6)Tb2In2 tetrahedra,  an edgeedge with one S(6)Tb2In2 tetrahedra, edges with two equivalent S(5)Tb2In2 tetrahedra, edges with two equivalent S(4)TbIn3 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Tb(1) and two equivalent Tb(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Tb(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Tb(1), one In(1), and two equivalent In(2) atoms to form distorted STbIn3 tetrahedra that share  a cornercorner with one S(5)Tb2In2 tetrahedra, corners with two equivalent S(6)Tb2In2 tetrahedra, corners with three equivalent S(4)TbIn3 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. is represented by the CIF file [CIF]
data_Tb4In5S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.888
_cell_length_b   11.899
_cell_length_c   21.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   994.070
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.000  0.671  0.341  1.0
  Tb  Tb1  1  0.000  0.329  0.659  1.0
  Tb  Tb2  1  0.000  0.829  0.841  1.0
  Tb  Tb3  1  0.000  0.171  0.159  1.0
  Tb  Tb4  1  0.000  0.515  0.171  1.0
  Tb  Tb5  1  0.000  0.485  0.829  1.0
  Tb  Tb6  1  0.000  0.985  0.671  1.0
  Tb  Tb7  1  0.000  0.015  0.329  1.0
  In  In8  1  0.000  0.500  0.500  1.0
  In  In9  1  0.000  0.000  0.000  1.0
  In  In10  1  0.500  0.845  0.493  1.0
  In  In11  1  0.500  0.155  0.507  1.0
  In  In12  1  0.500  0.655  0.993  1.0
  In  In13  1  0.500  0.345  0.007  1.0
  In  In14  1  0.500  0.844  0.171  1.0
  In  In15  1  0.500  0.156  0.829  1.0
  In  In16  1  0.500  0.656  0.671  1.0
  In  In17  1  0.500  0.344  0.329  1.0
  S  S18  1  0.500  0.848  0.366  1.0
  S  S19  1  0.500  0.152  0.634  1.0
  S  S20  1  0.500  0.652  0.866  1.0
  S  S21  1  0.500  0.348  0.134  1.0
  S  S22  1  0.500  0.579  0.260  1.0
  S  S23  1  0.500  0.421  0.740  1.0
  S  S24  1  0.500  0.921  0.760  1.0
  S  S25  1  0.500  0.079  0.240  1.0
  S  S26  1  0.500  0.505  0.406  1.0
  S  S27  1  0.500  0.495  0.594  1.0
  S  S28  1  0.500  0.995  0.906  1.0
  S  S29  1  0.500  0.005  0.094  1.0
  S  S30  1  0.000  0.703  0.474  1.0
  S  S31  1  0.000  0.297  0.526  1.0
  S  S32  1  0.000  0.797  0.974  1.0
  S  S33  1  0.000  0.203  0.026  1.0
  S  S34  1  0.000  0.832  0.242  1.0
  S  S35  1  0.000  0.168  0.758  1.0
  S  S36  1  0.000  0.668  0.742  1.0
  S  S37  1  0.000  0.332  0.258  1.0
  S  S38  1  0.500  0.657  0.115  1.0
  S  S39  1  0.500  0.343  0.885  1.0
  S  S40  1  0.500  0.843  0.615  1.0
  S  S41  1  0.500  0.157  0.385  1.0
  S  S42  1  0.000  0.000  0.500  1.0
  S  S43  1  0.000  0.500  0.000  1.0
[/CIF]
.
The structure described by Tb4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(4) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(2)S6 octahedra, corners with four equivalent In(3)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second In site, In(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra,  a cornercorner with one In(3)S4 tetrahedra, and edges with three equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(1)S6 octahedra, and corners with two equivalent In(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-63°. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Tb(1), one Tb(2), and two equivalent In(3) atoms to form STb2In2 tetrahedra that share  a cornercorner with one S(4)TbIn3 tetrahedra, corners with two equivalent S(5)Tb2In2 tetrahedra, corners with four equivalent S(6)Tb2In2 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Tb(2), one In(2), and one In(3) atom to form STb2In2 tetrahedra that share corners with two equivalent S(6)Tb2In2 tetrahedra, corners with two equivalent S(4)TbIn3 tetrahedra, corners with four equivalent S(5)Tb2In2 tetrahedra, corners with three equivalent S(1)Tb4In trigonal bipyramids, and  an edgeedge with one S(1)Tb4In trigonal bipyramid. In the third S site, S(7) is bonded in a square co-planar geometry to four equivalent In(2) atoms. In the fourth S site, S(1) is bonded to two equivalent Tb(1), two equivalent Tb(2), and one In(2) atom to form distorted STb4In trigonal bipyramids that share corners with three equivalent S(6)Tb2In2 tetrahedra,  an edgeedge with one S(6)Tb2In2 tetrahedra, edges with two equivalent S(5)Tb2In2 tetrahedra, edges with two equivalent S(4)TbIn3 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Tb(1) and two equivalent Tb(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Tb(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Tb(1), one In(1), and two equivalent In(2) atoms to form distorted STbIn3 tetrahedra that share  a cornercorner with one S(5)Tb2In2 tetrahedra, corners with two equivalent S(6)Tb2In2 tetrahedra, corners with three equivalent S(4)TbIn3 tetrahedra, and edges with two equivalent S(1)Tb4In trigonal bipyramids. is represented by the CIF file [CIF]
data_Tb4In5S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.888
_cell_length_b   11.899
_cell_length_c   21.488
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   994.070
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.000  0.671  0.341  1.0
  Tb  Tb1  1  0.000  0.329  0.659  1.0
  Tb  Tb2  1  0.000  0.829  0.841  1.0
  Tb  Tb3  1  0.000  0.171  0.159  1.0
  Tb  Tb4  1  0.000  0.515  0.171  1.0
  Tb  Tb5  1  0.000  0.485  0.829  1.0
  Tb  Tb6  1  0.000  0.985  0.671  1.0
  Tb  Tb7  1  0.000  0.015  0.329  1.0
  In  In8  1  0.000  0.500  0.500  1.0
  In  In9  1  0.000  0.000  0.000  1.0
  In  In10  1  0.500  0.845  0.493  1.0
  In  In11  1  0.500  0.155  0.507  1.0
  In  In12  1  0.500  0.655  0.993  1.0
  In  In13  1  0.500  0.345  0.007  1.0
  In  In14  1  0.500  0.844  0.171  1.0
  In  In15  1  0.500  0.156  0.829  1.0
  In  In16  1  0.500  0.656  0.671  1.0
  In  In17  1  0.500  0.344  0.329  1.0
  S  S18  1  0.500  0.848  0.366  1.0
  S  S19  1  0.500  0.152  0.634  1.0
  S  S20  1  0.500  0.652  0.866  1.0
  S  S21  1  0.500  0.348  0.134  1.0
  S  S22  1  0.500  0.579  0.260  1.0
  S  S23  1  0.500  0.421  0.740  1.0
  S  S24  1  0.500  0.921  0.760  1.0
  S  S25  1  0.500  0.079  0.240  1.0
  S  S26  1  0.500  0.505  0.406  1.0
  S  S27  1  0.500  0.495  0.594  1.0
  S  S28  1  0.500  0.995  0.906  1.0
  S  S29  1  0.500  0.005  0.094  1.0
  S  S30  1  0.000  0.703  0.474  1.0
  S  S31  1  0.000  0.297  0.526  1.0
  S  S32  1  0.000  0.797  0.974  1.0
  S  S33  1  0.000  0.203  0.026  1.0
  S  S34  1  0.000  0.832  0.242  1.0
  S  S35  1  0.000  0.168  0.758  1.0
  S  S36  1  0.000  0.668  0.742  1.0
  S  S37  1  0.000  0.332  0.258  1.0
  S  S38  1  0.500  0.657  0.115  1.0
  S  S39  1  0.500  0.343  0.885  1.0
  S  S40  1  0.500  0.843  0.615  1.0
  S  S41  1  0.500  0.157  0.385  1.0
  S  S42  1  0.000  0.000  0.500  1.0
  S  S43  1  0.000  0.500  0.000  1.0
[/CIF]
.