The material structure described by TaCr3(CuS4)2 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with three equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-57°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), two equivalent S(7), and three equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Ta(1)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, corners with two equivalent Cu(2)S5 square pyramids, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(2)S5 square pyramid. The corner-sharing octahedral tilt angles range from 56-57°. In the second Cr site, Cr(2) is bonded to one S(6), two equivalent S(8), and three equivalent S(4) atoms to form CrS6 octahedra that share corners with three equivalent Cr(3)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 55-56°. In the third Cr site, Cr(3) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, corners with two equivalent Cu(2)S5 square pyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cu(1)S7 pentagonal bipyramid, and edges with three equivalent Cu(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(5), two equivalent S(8), and three equivalent S(1) atoms to form distorted CuS7 pentagonal bipyramids that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra,  an edgeedge with one Cr(3)S6 octahedra, edges with three equivalent Ta(1)S6 octahedra, edges with two equivalent Cu(1)S7 pentagonal bipyramids, and faces with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-61°. In the second Cu site, Cu(2) is bonded to two equivalent S(7) and three equivalent S(2) atoms to form CuS5 square pyramids that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with four equivalent Cu(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 4-10°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1) and three equivalent Cu(1) atoms to form distorted STa2Cu3 trigonal bipyramids that share corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids, edges with three equivalent S(8)TaCr2Cu2 square pyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with four equivalent S(1)Ta2Cu3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cr(3) and three equivalent Cu(2) atoms to form SCr2Cu3 square pyramids that share corners with two equivalent S(7)Cr3Cu2 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, edges with three equivalent S(7)Cr3Cu2 square pyramids, edges with four equivalent S(2)Cr2Cu3 square pyramids, and  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1) and three equivalent Cr(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(3) and three equivalent Cr(2) atoms. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(2)Cr2Cu3 square pyramids, corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(1)Ta2Cu3 trigonal bipyramids,  an edgeedge with one S(2)Cr2Cu3 square pyramid,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(7)Cr3Cu2 square pyramids,  an edgeedge with one S(1)Ta2Cu3 trigonal bipyramid, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Cr(2) atom. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(2) atoms to form SCr3Cu2 square pyramids that share corners with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, edges with three equivalent S(2)Cr2Cu3 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Cu(1) atoms to form STaCr2Cu2 square pyramids that share corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(1)Ta2Cu3 trigonal bipyramids, edges with two equivalent S(8)TaCr2Cu2 square pyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with three equivalent S(1)Ta2Cu3 trigonal bipyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.433
_cell_length_b   3.424
_cell_length_c   12.008
_cell_angle_alpha   90.000
_cell_angle_beta   89.458
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.090
_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
  Ta  Ta0  1  0.145  0.250  0.709  1.0
  Ta  Ta1  1  0.855  0.750  0.291  1.0
  Cr  Cr2  1  0.119  0.250  0.075  1.0
  Cr  Cr3  1  0.881  0.750  0.925  1.0
  Cr  Cr4  1  0.391  0.750  0.569  1.0
  Cr  Cr5  1  0.609  0.250  0.431  1.0
  Cr  Cr6  1  0.354  0.750  0.207  1.0
  Cr  Cr7  1  0.646  0.250  0.793  1.0
  Cu  Cu8  1  0.140  0.750  0.408  1.0
  Cu  Cu9  1  0.860  0.250  0.592  1.0
  Cu  Cu10  1  0.392  0.250  0.948  1.0
  Cu  Cu11  1  0.608  0.750  0.052  1.0
  S  S12  1  0.032  0.750  0.611  1.0
  S  S13  1  0.968  0.250  0.389  1.0
  S  S14  1  0.474  0.250  0.125  1.0
  S  S15  1  0.526  0.750  0.875  1.0
  S  S16  1  0.028  0.250  0.880  1.0
  S  S17  1  0.972  0.750  0.120  1.0
  S  S18  1  0.473  0.750  0.384  1.0
  S  S19  1  0.527  0.250  0.616  1.0
  S  S20  1  0.213  0.250  0.251  1.0
  S  S21  1  0.787  0.750  0.749  1.0
  S  S22  1  0.289  0.750  0.753  1.0
  S  S23  1  0.711  0.250  0.247  1.0
  S  S24  1  0.253  0.750  0.031  1.0
  S  S25  1  0.747  0.250  0.969  1.0
  S  S26  1  0.253  0.250  0.521  1.0
  S  S27  1  0.747  0.750  0.479  1.0
[/CIF]
.
The material structure described by TaCr3(CuS4)2 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to one S(3), one S(8), two equivalent S(1), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with three equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 56-57°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(5), two equivalent S(7), and three equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Ta(1)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, corners with two equivalent Cu(2)S5 square pyramids, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(2)S5 square pyramid. The corner-sharing octahedral tilt angles range from 56-57°. In the second Cr site, Cr(2) is bonded to one S(6), two equivalent S(8), and three equivalent S(4) atoms to form CrS6 octahedra that share corners with three equivalent Cr(3)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 55-56°. In the third Cr site, Cr(3) is bonded to one S(4), one S(7), two equivalent S(2), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, corners with two equivalent Cu(2)S5 square pyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cu(1)S7 pentagonal bipyramid, and edges with three equivalent Cu(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(5), two equivalent S(8), and three equivalent S(1) atoms to form distorted CuS7 pentagonal bipyramids that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra,  an edgeedge with one Cr(3)S6 octahedra, edges with three equivalent Ta(1)S6 octahedra, edges with two equivalent Cu(1)S7 pentagonal bipyramids, and faces with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 19-61°. In the second Cu site, Cu(2) is bonded to two equivalent S(7) and three equivalent S(2) atoms to form CuS5 square pyramids that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(1)S6 octahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with four equivalent Cu(2)S5 square pyramids. The corner-sharing octahedral tilt angles range from 4-10°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1) and three equivalent Cu(1) atoms to form distorted STa2Cu3 trigonal bipyramids that share corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids, edges with three equivalent S(8)TaCr2Cu2 square pyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with four equivalent S(1)Ta2Cu3 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cr(3) and three equivalent Cu(2) atoms to form SCr2Cu3 square pyramids that share corners with two equivalent S(7)Cr3Cu2 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, edges with three equivalent S(7)Cr3Cu2 square pyramids, edges with four equivalent S(2)Cr2Cu3 square pyramids, and  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1) and three equivalent Cr(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(3) and three equivalent Cr(2) atoms. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(2)Cr2Cu3 square pyramids, corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(1)Ta2Cu3 trigonal bipyramids,  an edgeedge with one S(2)Cr2Cu3 square pyramid,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(7)Cr3Cu2 square pyramids,  an edgeedge with one S(1)Ta2Cu3 trigonal bipyramid, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Cr(2) atom. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(2) atoms to form SCr3Cu2 square pyramids that share corners with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, edges with three equivalent S(2)Cr2Cu3 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Cu(1) atoms to form STaCr2Cu2 square pyramids that share corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(1)Ta2Cu3 trigonal bipyramids, edges with two equivalent S(8)TaCr2Cu2 square pyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with three equivalent S(1)Ta2Cu3 trigonal bipyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.433
_cell_length_b   3.424
_cell_length_c   12.008
_cell_angle_alpha   90.000
_cell_angle_beta   89.458
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.090
_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
  Ta  Ta0  1  0.145  0.250  0.709  1.0
  Ta  Ta1  1  0.855  0.750  0.291  1.0
  Cr  Cr2  1  0.119  0.250  0.075  1.0
  Cr  Cr3  1  0.881  0.750  0.925  1.0
  Cr  Cr4  1  0.391  0.750  0.569  1.0
  Cr  Cr5  1  0.609  0.250  0.431  1.0
  Cr  Cr6  1  0.354  0.750  0.207  1.0
  Cr  Cr7  1  0.646  0.250  0.793  1.0
  Cu  Cu8  1  0.140  0.750  0.408  1.0
  Cu  Cu9  1  0.860  0.250  0.592  1.0
  Cu  Cu10  1  0.392  0.250  0.948  1.0
  Cu  Cu11  1  0.608  0.750  0.052  1.0
  S  S12  1  0.032  0.750  0.611  1.0
  S  S13  1  0.968  0.250  0.389  1.0
  S  S14  1  0.474  0.250  0.125  1.0
  S  S15  1  0.526  0.750  0.875  1.0
  S  S16  1  0.028  0.250  0.880  1.0
  S  S17  1  0.972  0.750  0.120  1.0
  S  S18  1  0.473  0.750  0.384  1.0
  S  S19  1  0.527  0.250  0.616  1.0
  S  S20  1  0.213  0.250  0.251  1.0
  S  S21  1  0.787  0.750  0.749  1.0
  S  S22  1  0.289  0.750  0.753  1.0
  S  S23  1  0.711  0.250  0.247  1.0
  S  S24  1  0.253  0.750  0.031  1.0
  S  S25  1  0.747  0.250  0.969  1.0
  S  S26  1  0.253  0.250  0.521  1.0
  S  S27  1  0.747  0.750  0.479  1.0
[/CIF]
.