The material structure described by HfCrAgS4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form HfS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Hf site, Hf(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(5) atoms to form HfS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with four equivalent Hf(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(2), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with four equivalent Hf(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and two equivalent S(7) atoms. In the second Ag site, Ag(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(6), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Hf(2), one Cr(1), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Hf(1), two equivalent Cr(2), and one Ag(1) atom. In the third S site, S(3) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Ag(2) atoms to form a mixture of distorted edge and corner-sharing SHfCr2Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(1), and two equivalent Ag(1) atoms. In the fifth S site, S(5) is bonded to two equivalent Hf(2), one Cr(2), and two equivalent Ag(1) atoms to form distorted SHf2CrAg2 trigonal bipyramids that share edges with two equivalent S(6)HfCr2Ag2 square pyramids and edges with two equivalent S(5)Hf2CrAg2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Hf(2), two equivalent Cr(2), and two equivalent Ag(2) atoms to form distorted SHfCr2Ag2 square pyramids that share corners with two equivalent S(3)HfCr2Ag2 trigonal bipyramids, edges with two equivalent S(6)HfCr2Ag2 square pyramids,  an edgeedge with one S(3)HfCr2Ag2 trigonal bipyramid, and edges with two equivalent S(5)Hf2CrAg2 trigonal bipyramids. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(2), and two equivalent Ag(1) atoms. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Hf(2), two equivalent Cr(1), and two equivalent Ag(2) atoms. is represented by the CIF file [CIF]
data_HfCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.299
_cell_length_b   3.599
_cell_length_c   13.149
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.745
_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
  Hf  Hf0  1  0.058  0.250  0.117  1.0
  Hf  Hf1  1  0.558  0.250  0.383  1.0
  Hf  Hf2  1  0.086  0.250  0.596  1.0
  Hf  Hf3  1  0.586  0.250  0.904  1.0
  Cr  Cr4  1  0.944  0.750  0.890  1.0
  Cr  Cr5  1  0.444  0.750  0.610  1.0
  Cr  Cr6  1  0.918  0.750  0.405  1.0
  Cr  Cr7  1  0.418  0.750  0.095  1.0
  Ag  Ag8  1  0.245  0.250  0.332  1.0
  Ag  Ag9  1  0.759  0.750  0.664  1.0
  Ag  Ag10  1  0.259  0.750  0.836  1.0
  Ag  Ag11  1  0.745  0.250  0.169  1.0
  S  S12  1  0.023  0.750  0.717  1.0
  S  S13  1  0.966  0.250  0.291  1.0
  S  S14  1  0.466  0.250  0.209  1.0
  S  S15  1  0.523  0.750  0.783  1.0
  S  S16  1  0.083  0.250  0.924  1.0
  S  S17  1  0.908  0.750  0.069  1.0
  S  S18  1  0.408  0.750  0.431  1.0
  S  S19  1  0.583  0.250  0.576  1.0
  S  S20  1  0.119  0.750  0.462  1.0
  S  S21  1  0.876  0.250  0.522  1.0
  S  S22  1  0.376  0.250  0.978  1.0
  S  S23  1  0.619  0.750  0.038  1.0
  S  S24  1  0.211  0.750  0.159  1.0
  S  S25  1  0.803  0.250  0.848  1.0
  S  S26  1  0.303  0.250  0.652  1.0
  S  S27  1  0.711  0.750  0.341  1.0
[/CIF]
.
The material structure described by HfCrAgS4 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form HfS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the second Hf site, Hf(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(5) atoms to form HfS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with four equivalent Hf(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Cr site, Cr(2) is bonded to one S(5), one S(7), two equivalent S(2), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with four equivalent Hf(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(5), and two equivalent S(7) atoms. In the second Ag site, Ag(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), two equivalent S(6), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Hf(2), one Cr(1), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Hf(1), two equivalent Cr(2), and one Ag(1) atom. In the third S site, S(3) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Ag(2) atoms to form a mixture of distorted edge and corner-sharing SHfCr2Ag2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(1), and two equivalent Ag(1) atoms. In the fifth S site, S(5) is bonded to two equivalent Hf(2), one Cr(2), and two equivalent Ag(1) atoms to form distorted SHf2CrAg2 trigonal bipyramids that share edges with two equivalent S(6)HfCr2Ag2 square pyramids and edges with two equivalent S(5)Hf2CrAg2 trigonal bipyramids. In the sixth S site, S(6) is bonded to one Hf(2), two equivalent Cr(2), and two equivalent Ag(2) atoms to form distorted SHfCr2Ag2 square pyramids that share corners with two equivalent S(3)HfCr2Ag2 trigonal bipyramids, edges with two equivalent S(6)HfCr2Ag2 square pyramids,  an edgeedge with one S(3)HfCr2Ag2 trigonal bipyramid, and edges with two equivalent S(5)Hf2CrAg2 trigonal bipyramids. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(2), and two equivalent Ag(1) atoms. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to one Hf(2), two equivalent Cr(1), and two equivalent Ag(2) atoms. is represented by the CIF file [CIF]
data_HfCrAgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.299
_cell_length_b   3.599
_cell_length_c   13.149
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.745
_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
  Hf  Hf0  1  0.058  0.250  0.117  1.0
  Hf  Hf1  1  0.558  0.250  0.383  1.0
  Hf  Hf2  1  0.086  0.250  0.596  1.0
  Hf  Hf3  1  0.586  0.250  0.904  1.0
  Cr  Cr4  1  0.944  0.750  0.890  1.0
  Cr  Cr5  1  0.444  0.750  0.610  1.0
  Cr  Cr6  1  0.918  0.750  0.405  1.0
  Cr  Cr7  1  0.418  0.750  0.095  1.0
  Ag  Ag8  1  0.245  0.250  0.332  1.0
  Ag  Ag9  1  0.759  0.750  0.664  1.0
  Ag  Ag10  1  0.259  0.750  0.836  1.0
  Ag  Ag11  1  0.745  0.250  0.169  1.0
  S  S12  1  0.023  0.750  0.717  1.0
  S  S13  1  0.966  0.250  0.291  1.0
  S  S14  1  0.466  0.250  0.209  1.0
  S  S15  1  0.523  0.750  0.783  1.0
  S  S16  1  0.083  0.250  0.924  1.0
  S  S17  1  0.908  0.750  0.069  1.0
  S  S18  1  0.408  0.750  0.431  1.0
  S  S19  1  0.583  0.250  0.576  1.0
  S  S20  1  0.119  0.750  0.462  1.0
  S  S21  1  0.876  0.250  0.522  1.0
  S  S22  1  0.376  0.250  0.978  1.0
  S  S23  1  0.619  0.750  0.038  1.0
  S  S24  1  0.211  0.750  0.159  1.0
  S  S25  1  0.803  0.250  0.848  1.0
  S  S26  1  0.303  0.250  0.652  1.0
  S  S27  1  0.711  0.750  0.341  1.0
[/CIF]
.