The material structure described by KCu2AsS3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(1), and two equivalent S(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(6), two equivalent S(2), and two equivalent S(4) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one As(1)CuS3 tetrahedra, corners with three equivalent As(2)CuS3 tetrahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one As(2), one S(1), one S(2), and one S(4) atom. In the third Cu site, Cu(3) is bonded to one S(1), one S(5), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent As(1)CuS3 tetrahedra, corners with two equivalent As(2)CuS3 tetrahedra, and  an edgeedge with one Cu(3)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one As(1), one S(3), one S(5), and one S(6) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Cu(4), one S(1), one S(2), and one S(5) atom to form distorted AsCuS3 tetrahedra that share  a cornercorner with one S(5)K2Cu2As square pyramid,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, and  a cornercorner with one S(6)KCu3As trigonal bipyramid. In the second As site, As(2) is bonded to one Cu(2), one S(3), one S(4), and one S(6) atom to form distorted AsCuS3 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra and corners with three equivalent Cu(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(2), one Cu(3), and one As(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(2), and one As(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one Cu(4), two equivalent Cu(3), and one As(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(2), and one As(2) atom. In the fifth S site, S(5) is bonded to two equivalent K(1), one Cu(3), one Cu(4), and one As(1) atom to form distorted SK2Cu2As square pyramids that share  a cornercorner with one As(1)CuS3 tetrahedra,  a cornercorner with one S(6)KCu3As trigonal bipyramid, and  an edgeedge with one S(5)K2Cu2As square pyramid. In the sixth S site, S(6) is bonded to one K(2), one Cu(4), two equivalent Cu(1), and one As(2) atom to form distorted SKCu3As trigonal bipyramids that share  a cornercorner with one S(5)K2Cu2As square pyramid,  a cornercorner with one As(1)CuS3 tetrahedra, and  an edgeedge with one S(6)KCu3As trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu2AsS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   8.973
_cell_length_c   10.354
_cell_angle_alpha   90.708
_cell_angle_beta   91.333
_cell_angle_gamma   90.653
_symmetry_Int_Tables_number   1
_cell_volume   588.676
_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
  K  K0  1  0.206  0.933  0.869  1.0
  K  K1  1  0.702  0.930  0.629  1.0
  K  K2  1  0.298  0.070  0.371  1.0
  K  K3  1  0.794  0.067  0.131  1.0
  Cu  Cu4  1  0.572  0.347  0.545  1.0
  Cu  Cu5  1  0.985  0.748  0.356  1.0
  Cu  Cu6  1  0.428  0.653  0.455  1.0
  Cu  Cu7  1  0.067  0.357  0.961  1.0
  Cu  Cu8  1  0.501  0.597  0.835  1.0
  Cu  Cu9  1  0.499  0.403  0.165  1.0
  Cu  Cu10  1  0.015  0.252  0.644  1.0
  Cu  Cu11  1  0.933  0.643  0.039  1.0
  As  As12  1  0.468  0.685  0.153  1.0
  As  As13  1  0.982  0.452  0.355  1.0
  As  As14  1  0.532  0.315  0.847  1.0
  As  As15  1  0.018  0.548  0.645  1.0
  S  S16  1  0.854  0.195  0.835  1.0
  S  S17  1  0.365  0.196  0.671  1.0
  S  S18  1  0.139  0.582  0.856  1.0
  S  S19  1  0.861  0.418  0.144  1.0
  S  S20  1  0.850  0.229  0.444  1.0
  S  S21  1  0.635  0.804  0.329  1.0
  S  S22  1  0.150  0.771  0.556  1.0
  S  S23  1  0.363  0.225  0.026  1.0
  S  S24  1  0.146  0.805  0.165  1.0
  S  S25  1  0.346  0.420  0.361  1.0
  S  S26  1  0.654  0.580  0.639  1.0
  S  S27  1  0.637  0.775  0.974  1.0
[/CIF]
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The material structure described by KCu2AsS3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), two equivalent S(1), and two equivalent S(5) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one S(1), one S(6), two equivalent S(2), and two equivalent S(4) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one As(1)CuS3 tetrahedra, corners with three equivalent As(2)CuS3 tetrahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one As(2), one S(1), one S(2), and one S(4) atom. In the third Cu site, Cu(3) is bonded to one S(1), one S(5), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent As(1)CuS3 tetrahedra, corners with two equivalent As(2)CuS3 tetrahedra, and  an edgeedge with one Cu(3)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one As(1), one S(3), one S(5), and one S(6) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one Cu(4), one S(1), one S(2), and one S(5) atom to form distorted AsCuS3 tetrahedra that share  a cornercorner with one S(5)K2Cu2As square pyramid,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, and  a cornercorner with one S(6)KCu3As trigonal bipyramid. In the second As site, As(2) is bonded to one Cu(2), one S(3), one S(4), and one S(6) atom to form distorted AsCuS3 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra and corners with three equivalent Cu(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), one Cu(2), one Cu(3), and one As(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(2), and one As(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one K(1), one Cu(4), two equivalent Cu(3), and one As(2) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one K(1), two equivalent K(2), one Cu(1), one Cu(2), and one As(2) atom. In the fifth S site, S(5) is bonded to two equivalent K(1), one Cu(3), one Cu(4), and one As(1) atom to form distorted SK2Cu2As square pyramids that share  a cornercorner with one As(1)CuS3 tetrahedra,  a cornercorner with one S(6)KCu3As trigonal bipyramid, and  an edgeedge with one S(5)K2Cu2As square pyramid. In the sixth S site, S(6) is bonded to one K(2), one Cu(4), two equivalent Cu(1), and one As(2) atom to form distorted SKCu3As trigonal bipyramids that share  a cornercorner with one S(5)K2Cu2As square pyramid,  a cornercorner with one As(1)CuS3 tetrahedra, and  an edgeedge with one S(6)KCu3As trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu2AsS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   8.973
_cell_length_c   10.354
_cell_angle_alpha   90.708
_cell_angle_beta   91.333
_cell_angle_gamma   90.653
_symmetry_Int_Tables_number   1
_cell_volume   588.676
_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
  K  K0  1  0.206  0.933  0.869  1.0
  K  K1  1  0.702  0.930  0.629  1.0
  K  K2  1  0.298  0.070  0.371  1.0
  K  K3  1  0.794  0.067  0.131  1.0
  Cu  Cu4  1  0.572  0.347  0.545  1.0
  Cu  Cu5  1  0.985  0.748  0.356  1.0
  Cu  Cu6  1  0.428  0.653  0.455  1.0
  Cu  Cu7  1  0.067  0.357  0.961  1.0
  Cu  Cu8  1  0.501  0.597  0.835  1.0
  Cu  Cu9  1  0.499  0.403  0.165  1.0
  Cu  Cu10  1  0.015  0.252  0.644  1.0
  Cu  Cu11  1  0.933  0.643  0.039  1.0
  As  As12  1  0.468  0.685  0.153  1.0
  As  As13  1  0.982  0.452  0.355  1.0
  As  As14  1  0.532  0.315  0.847  1.0
  As  As15  1  0.018  0.548  0.645  1.0
  S  S16  1  0.854  0.195  0.835  1.0
  S  S17  1  0.365  0.196  0.671  1.0
  S  S18  1  0.139  0.582  0.856  1.0
  S  S19  1  0.861  0.418  0.144  1.0
  S  S20  1  0.850  0.229  0.444  1.0
  S  S21  1  0.635  0.804  0.329  1.0
  S  S22  1  0.150  0.771  0.556  1.0
  S  S23  1  0.363  0.225  0.026  1.0
  S  S24  1  0.146  0.805  0.165  1.0
  S  S25  1  0.346  0.420  0.361  1.0
  S  S26  1  0.654  0.580  0.639  1.0
  S  S27  1  0.637  0.775  0.974  1.0
[/CIF]
.