The structure described by TaCr3(CuS4)2 crystallizes in the orthorhombic Pmc2_1 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  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), one S(5), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Cr site, Cr(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Ta(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(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 54-55°. 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  a cornercorner with one Cr(2)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), two equivalent S(2), two equivalent S(5), and two equivalent S(8) atoms to form distorted CuS7 pentagonal bipyramids that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and faces with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-66°. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted STa2Cu3 square pyramids that share corners with two equivalent S(7)Cr3Cu2 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(7)Cr3Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(1)Ta2Cu3 square pyramids, and edges with two equivalent S(8)TaCr2Cu2 square pyramids. In the second S site, S(2) is bonded to two equivalent Cr(3), one Cu(2), and two equivalent Cu(1) atoms to form SCr2Cu3 square pyramids that share corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, edges with two equivalent S(1)Ta2Cu3 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) 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(1)Ta2Cu3 square pyramids, corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(2)Cr2Cu3 square pyramids,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Cu(2) atoms. 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(1)Ta2Cu3 square pyramids,  an edgeedge with one S(1)Ta2Cu3 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 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(2)Cr2Cu3 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(2)Cr2Cu3 square pyramid, edges with two equivalent S(1)Ta2Cu3 square pyramids, edges with two equivalent S(8)TaCr2Cu2 square pyramids, and  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid. is represented by the CIF file [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.397
_cell_length_b   3.422
_cell_length_c   12.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.818
_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  0.147  0.250  0.710  1.0
  Ta  Ta1  1  0.647  0.250  0.790  1.0
  Cr  Cr2  1  0.112  0.250  0.080  1.0
  Cr  Cr3  1  0.886  0.750  0.933  1.0
  Cr  Cr4  1  0.386  0.750  0.567  1.0
  Cr  Cr5  1  0.612  0.250  0.420  1.0
  Cr  Cr6  1  0.854  0.750  0.295  1.0
  Cr  Cr7  1  0.354  0.750  0.205  1.0
  Cu  Cu8  1  0.119  0.750  0.412  1.0
  Cu  Cu9  1  0.870  0.250  0.556  1.0
  Cu  Cu10  1  0.370  0.250  0.944  1.0
  Cu  Cu11  1  0.619  0.750  0.088  1.0
  S  S12  1  0.033  0.750  0.613  1.0
  S  S13  1  0.971  0.250  0.385  1.0
  S  S14  1  0.471  0.250  0.115  1.0
  S  S15  1  0.533  0.750  0.887  1.0
  S  S16  1  0.028  0.250  0.880  1.0
  S  S17  1  0.970  0.750  0.118  1.0
  S  S18  1  0.470  0.750  0.382  1.0
  S  S19  1  0.528  0.250  0.620  1.0
  S  S20  1  0.216  0.250  0.251  1.0
  S  S21  1  0.794  0.750  0.743  1.0
  S  S22  1  0.294  0.750  0.757  1.0
  S  S23  1  0.716  0.250  0.249  1.0
  S  S24  1  0.248  0.750  0.031  1.0
  S  S25  1  0.752  0.250  0.978  1.0
  S  S26  1  0.252  0.250  0.522  1.0
  S  S27  1  0.748  0.750  0.469  1.0
[/CIF]
.
The structure described by TaCr3(CuS4)2 crystallizes in the orthorhombic Pmc2_1 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  a cornercorner with one Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(3), one S(5), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with two equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the second Cr site, Cr(2) is bonded to one S(4), one S(6), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Ta(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(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 54-55°. 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  a cornercorner with one Cr(2)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Cu(1)S7 pentagonal bipyramids, edges with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), two equivalent S(2), two equivalent S(5), and two equivalent S(8) atoms to form distorted CuS7 pentagonal bipyramids that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and faces with two equivalent Cu(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 17-66°. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(6), and two equivalent S(7) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ta(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted STa2Cu3 square pyramids that share corners with two equivalent S(7)Cr3Cu2 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(7)Cr3Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(1)Ta2Cu3 square pyramids, and edges with two equivalent S(8)TaCr2Cu2 square pyramids. In the second S site, S(2) is bonded to two equivalent Cr(3), one Cu(2), and two equivalent Cu(1) atoms to form SCr2Cu3 square pyramids that share corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, edges with two equivalent S(1)Ta2Cu3 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), and two equivalent Cr(2) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Cr(3), and two equivalent Cr(1) 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(1)Ta2Cu3 square pyramids, corners with two equivalent S(8)TaCr2Cu2 square pyramids, corners with four equivalent S(2)Cr2Cu3 square pyramids,  an edgeedge with one S(8)TaCr2Cu2 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 square pyramids, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Cu(2) atoms. 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(1)Ta2Cu3 square pyramids,  an edgeedge with one S(1)Ta2Cu3 square pyramid, edges with two equivalent S(2)Cr2Cu3 square pyramids, edges with two equivalent S(7)Cr3Cu2 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(2)Cr2Cu3 square pyramids, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(2)Cr2Cu3 square pyramid, edges with two equivalent S(1)Ta2Cu3 square pyramids, edges with two equivalent S(8)TaCr2Cu2 square pyramids, and  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid. is represented by the CIF file [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.397
_cell_length_b   3.422
_cell_length_c   12.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.818
_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  0.147  0.250  0.710  1.0
  Ta  Ta1  1  0.647  0.250  0.790  1.0
  Cr  Cr2  1  0.112  0.250  0.080  1.0
  Cr  Cr3  1  0.886  0.750  0.933  1.0
  Cr  Cr4  1  0.386  0.750  0.567  1.0
  Cr  Cr5  1  0.612  0.250  0.420  1.0
  Cr  Cr6  1  0.854  0.750  0.295  1.0
  Cr  Cr7  1  0.354  0.750  0.205  1.0
  Cu  Cu8  1  0.119  0.750  0.412  1.0
  Cu  Cu9  1  0.870  0.250  0.556  1.0
  Cu  Cu10  1  0.370  0.250  0.944  1.0
  Cu  Cu11  1  0.619  0.750  0.088  1.0
  S  S12  1  0.033  0.750  0.613  1.0
  S  S13  1  0.971  0.250  0.385  1.0
  S  S14  1  0.471  0.250  0.115  1.0
  S  S15  1  0.533  0.750  0.887  1.0
  S  S16  1  0.028  0.250  0.880  1.0
  S  S17  1  0.970  0.750  0.118  1.0
  S  S18  1  0.470  0.750  0.382  1.0
  S  S19  1  0.528  0.250  0.620  1.0
  S  S20  1  0.216  0.250  0.251  1.0
  S  S21  1  0.794  0.750  0.743  1.0
  S  S22  1  0.294  0.750  0.757  1.0
  S  S23  1  0.716  0.250  0.249  1.0
  S  S24  1  0.248  0.750  0.031  1.0
  S  S25  1  0.752  0.250  0.978  1.0
  S  S26  1  0.252  0.250  0.522  1.0
  S  S27  1  0.748  0.750  0.469  1.0
[/CIF]
.