The material described by Ho4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ho sites. In the first Ho site, Ho(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 Ho site, Ho(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 62-63°. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Ho(1), one Ho(2), and two equivalent In(3) atoms to form SHo2In2 tetrahedra that share  a cornercorner with one S(4)HoIn3 tetrahedra, corners with two equivalent S(5)Ho2In2 tetrahedra, corners with four equivalent S(6)Ho2In2 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Ho(2), one In(2), and one In(3) atom to form SHo2In2 tetrahedra that share corners with two equivalent S(6)Ho2In2 tetrahedra, corners with two equivalent S(4)HoIn3 tetrahedra, corners with four equivalent S(5)Ho2In2 tetrahedra, corners with three equivalent S(1)Ho4In trigonal bipyramids, and  an edgeedge with one S(1)Ho4In 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 Ho(1), two equivalent Ho(2), and one In(2) atom to form distorted SHo4In trigonal bipyramids that share corners with three equivalent S(6)Ho2In2 tetrahedra,  an edgeedge with one S(6)Ho2In2 tetrahedra, edges with two equivalent S(5)Ho2In2 tetrahedra, edges with two equivalent S(4)HoIn3 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Ho(1) and two equivalent Ho(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Ho(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Ho(1), one In(1), and two equivalent In(2) atoms to form SHoIn3 tetrahedra that share  a cornercorner with one S(5)Ho2In2 tetrahedra, corners with two equivalent S(6)Ho2In2 tetrahedra, corners with three equivalent S(4)HoIn3 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. is represented by the CIF file [CIF]
data_Ho4In5S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   11.865
_cell_length_c   21.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.397
_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
  Ho  Ho0  1  0.000  0.672  0.340  1.0
  Ho  Ho1  1  0.000  0.328  0.660  1.0
  Ho  Ho2  1  0.000  0.828  0.840  1.0
  Ho  Ho3  1  0.000  0.172  0.160  1.0
  Ho  Ho4  1  0.000  0.515  0.172  1.0
  Ho  Ho5  1  0.000  0.485  0.828  1.0
  Ho  Ho6  1  0.000  0.985  0.672  1.0
  Ho  Ho7  1  0.000  0.015  0.328  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  0.849  0.365  1.0
  S  S19  1  0.500  0.151  0.635  1.0
  S  S20  1  0.500  0.651  0.865  1.0
  S  S21  1  0.500  0.349  0.135  1.0
  S  S22  1  0.500  0.580  0.261  1.0
  S  S23  1  0.500  0.420  0.739  1.0
  S  S24  1  0.500  0.920  0.761  1.0
  S  S25  1  0.500  0.080  0.239  1.0
  S  S26  1  0.500  0.505  0.405  1.0
  S  S27  1  0.500  0.495  0.595  1.0
  S  S28  1  0.500  0.995  0.905  1.0
  S  S29  1  0.500  0.005  0.095  1.0
  S  S30  1  0.000  0.703  0.473  1.0
  S  S31  1  0.000  0.297  0.527  1.0
  S  S32  1  0.000  0.797  0.973  1.0
  S  S33  1  0.000  0.203  0.027  1.0
  S  S34  1  0.000  0.832  0.243  1.0
  S  S35  1  0.000  0.168  0.757  1.0
  S  S36  1  0.000  0.668  0.743  1.0
  S  S37  1  0.000  0.332  0.257  1.0
  S  S38  1  0.500  0.655  0.116  1.0
  S  S39  1  0.500  0.345  0.884  1.0
  S  S40  1  0.500  0.845  0.616  1.0
  S  S41  1  0.500  0.155  0.384  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 material described by Ho4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Ho sites. In the first Ho site, Ho(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 Ho site, Ho(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 62-63°. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Ho(1), one Ho(2), and two equivalent In(3) atoms to form SHo2In2 tetrahedra that share  a cornercorner with one S(4)HoIn3 tetrahedra, corners with two equivalent S(5)Ho2In2 tetrahedra, corners with four equivalent S(6)Ho2In2 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Ho(2), one In(2), and one In(3) atom to form SHo2In2 tetrahedra that share corners with two equivalent S(6)Ho2In2 tetrahedra, corners with two equivalent S(4)HoIn3 tetrahedra, corners with four equivalent S(5)Ho2In2 tetrahedra, corners with three equivalent S(1)Ho4In trigonal bipyramids, and  an edgeedge with one S(1)Ho4In 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 Ho(1), two equivalent Ho(2), and one In(2) atom to form distorted SHo4In trigonal bipyramids that share corners with three equivalent S(6)Ho2In2 tetrahedra,  an edgeedge with one S(6)Ho2In2 tetrahedra, edges with two equivalent S(5)Ho2In2 tetrahedra, edges with two equivalent S(4)HoIn3 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Ho(1) and two equivalent Ho(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Ho(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Ho(1), one In(1), and two equivalent In(2) atoms to form SHoIn3 tetrahedra that share  a cornercorner with one S(5)Ho2In2 tetrahedra, corners with two equivalent S(6)Ho2In2 tetrahedra, corners with three equivalent S(4)HoIn3 tetrahedra, and edges with two equivalent S(1)Ho4In trigonal bipyramids. is represented by the CIF file [CIF]
data_Ho4In5S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   11.865
_cell_length_c   21.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.397
_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
  Ho  Ho0  1  0.000  0.672  0.340  1.0
  Ho  Ho1  1  0.000  0.328  0.660  1.0
  Ho  Ho2  1  0.000  0.828  0.840  1.0
  Ho  Ho3  1  0.000  0.172  0.160  1.0
  Ho  Ho4  1  0.000  0.515  0.172  1.0
  Ho  Ho5  1  0.000  0.485  0.828  1.0
  Ho  Ho6  1  0.000  0.985  0.672  1.0
  Ho  Ho7  1  0.000  0.015  0.328  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  0.849  0.365  1.0
  S  S19  1  0.500  0.151  0.635  1.0
  S  S20  1  0.500  0.651  0.865  1.0
  S  S21  1  0.500  0.349  0.135  1.0
  S  S22  1  0.500  0.580  0.261  1.0
  S  S23  1  0.500  0.420  0.739  1.0
  S  S24  1  0.500  0.920  0.761  1.0
  S  S25  1  0.500  0.080  0.239  1.0
  S  S26  1  0.500  0.505  0.405  1.0
  S  S27  1  0.500  0.495  0.595  1.0
  S  S28  1  0.500  0.995  0.905  1.0
  S  S29  1  0.500  0.005  0.095  1.0
  S  S30  1  0.000  0.703  0.473  1.0
  S  S31  1  0.000  0.297  0.527  1.0
  S  S32  1  0.000  0.797  0.973  1.0
  S  S33  1  0.000  0.203  0.027  1.0
  S  S34  1  0.000  0.832  0.243  1.0
  S  S35  1  0.000  0.168  0.757  1.0
  S  S36  1  0.000  0.668  0.743  1.0
  S  S37  1  0.000  0.332  0.257  1.0
  S  S38  1  0.500  0.655  0.116  1.0
  S  S39  1  0.500  0.345  0.884  1.0
  S  S40  1  0.500  0.845  0.616  1.0
  S  S41  1  0.500  0.155  0.384  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]
.