The structure described by CsCuS6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one S(1), one S(11), one S(12), one S(2), one S(4), one S(5), one S(8), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(11), one S(12), one S(2), one S(5), one S(6), one S(8), two equivalent S(1), and two equivalent S(10) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(7), and two equivalent S(6) atoms to form CuS4 tetrahedra that share  a cornercorner with one S(8)Cs2S2 trigonal pyramid 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 S(1), one S(7), and two equivalent S(12) atoms. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent Cs(2), one Cu(1), one Cu(2), and one S(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one S(1), and one S(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), one S(2), and one S(4) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one Cs(1), one S(3), and one S(5) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one S(4), and one S(6) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and one S(5) atom. In the seventh S site, S(7) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(1), one Cu(2), and one S(8) atom. In the eighth S site, S(8) is bonded to one Cs(1), one Cs(2), one S(7), and one S(9) atom to form distorted SCs2S2 trigonal pyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with two equivalent S(11)Cs2S2 tetrahedra. In the ninth S site, S(9) is bonded in a distorted water-like geometry to one S(10) and one S(8) atom. In the tenth S site, S(10) is bonded in a 4-coordinate geometry to two equivalent Cs(2), one S(11), and one S(9) atom. In the eleventh S site, S(11) is bonded to one Cs(1), one Cs(2), one S(10), and one S(12) atom to form distorted corner-sharing SCs2S2 tetrahedra. In the twelfth S site, S(12) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cu(2), and one S(11) atom. is represented by the CIF card [CIF]
data_CsCuS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   10.814
_cell_length_c   11.256
_cell_angle_alpha   74.196
_cell_angle_beta   84.766
_cell_angle_gamma   78.101
_symmetry_Int_Tables_number   1
_cell_volume   834.995
_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
  Cs  Cs0  1  0.829  0.698  0.579  1.0
  Cs  Cs1  1  0.171  0.302  0.421  1.0
  Cs  Cs2  1  0.677  0.303  0.928  1.0
  Cs  Cs3  1  0.323  0.697  0.072  1.0
  Cu  Cu4  1  0.601  0.496  0.390  1.0
  Cu  Cu5  1  0.399  0.504  0.610  1.0
  Cu  Cu6  1  0.147  0.505  0.870  1.0
  Cu  Cu7  1  0.853  0.495  0.130  1.0
  S  S8  1  0.375  0.615  0.761  1.0
  S  S9  1  0.625  0.385  0.239  1.0
  S  S10  1  0.197  0.797  0.731  1.0
  S  S11  1  0.803  0.203  0.269  1.0
  S  S12  1  0.319  0.927  0.598  1.0
  S  S13  1  0.681  0.073  0.402  1.0
  S  S14  1  0.219  0.930  0.429  1.0
  S  S15  1  0.781  0.070  0.571  1.0
  S  S16  1  0.404  0.797  0.359  1.0
  S  S17  1  0.596  0.203  0.641  1.0
  S  S18  1  0.693  0.379  0.586  1.0
  S  S19  1  0.307  0.621  0.414  1.0
  S  S20  1  0.161  0.397  0.720  1.0
  S  S21  1  0.839  0.603  0.280  1.0
  S  S22  1  0.103  0.209  0.757  1.0
  S  S23  1  0.897  0.791  0.243  1.0
  S  S24  1  0.285  0.083  0.885  1.0
  S  S25  1  0.715  0.917  0.115  1.0
  S  S26  1  0.166  0.086  0.059  1.0
  S  S27  1  0.834  0.914  0.941  1.0
  S  S28  1  0.709  0.796  0.872  1.0
  S  S29  1  0.291  0.204  0.128  1.0
  S  S30  1  0.848  0.603  0.925  1.0
  S  S31  1  0.152  0.397  0.075  1.0
[/CIF]
.
The structure described by CsCuS6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one S(1), one S(11), one S(12), one S(2), one S(4), one S(5), one S(8), two equivalent S(3), two equivalent S(6), and two equivalent S(7) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(11), one S(12), one S(2), one S(5), one S(6), one S(8), two equivalent S(1), and two equivalent S(10) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(7), and two equivalent S(6) atoms to form CuS4 tetrahedra that share  a cornercorner with one S(8)Cs2S2 trigonal pyramid 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 S(1), one S(7), and two equivalent S(12) atoms. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent Cs(2), one Cu(1), one Cu(2), and one S(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one S(1), and one S(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to two equivalent Cs(1), one S(2), and one S(4) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one Cs(1), one S(3), and one S(5) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one S(4), and one S(6) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cu(1), and one S(5) atom. In the seventh S site, S(7) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Cu(1), one Cu(2), and one S(8) atom. In the eighth S site, S(8) is bonded to one Cs(1), one Cs(2), one S(7), and one S(9) atom to form distorted SCs2S2 trigonal pyramids that share  a cornercorner with one Cu(1)S4 tetrahedra and corners with two equivalent S(11)Cs2S2 tetrahedra. In the ninth S site, S(9) is bonded in a distorted water-like geometry to one S(10) and one S(8) atom. In the tenth S site, S(10) is bonded in a 4-coordinate geometry to two equivalent Cs(2), one S(11), and one S(9) atom. In the eleventh S site, S(11) is bonded to one Cs(1), one Cs(2), one S(10), and one S(12) atom to form distorted corner-sharing SCs2S2 tetrahedra. In the twelfth S site, S(12) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cu(2), and one S(11) atom. is represented by the CIF card [CIF]
data_CsCuS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.291
_cell_length_b   10.814
_cell_length_c   11.256
_cell_angle_alpha   74.196
_cell_angle_beta   84.766
_cell_angle_gamma   78.101
_symmetry_Int_Tables_number   1
_cell_volume   834.995
_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
  Cs  Cs0  1  0.829  0.698  0.579  1.0
  Cs  Cs1  1  0.171  0.302  0.421  1.0
  Cs  Cs2  1  0.677  0.303  0.928  1.0
  Cs  Cs3  1  0.323  0.697  0.072  1.0
  Cu  Cu4  1  0.601  0.496  0.390  1.0
  Cu  Cu5  1  0.399  0.504  0.610  1.0
  Cu  Cu6  1  0.147  0.505  0.870  1.0
  Cu  Cu7  1  0.853  0.495  0.130  1.0
  S  S8  1  0.375  0.615  0.761  1.0
  S  S9  1  0.625  0.385  0.239  1.0
  S  S10  1  0.197  0.797  0.731  1.0
  S  S11  1  0.803  0.203  0.269  1.0
  S  S12  1  0.319  0.927  0.598  1.0
  S  S13  1  0.681  0.073  0.402  1.0
  S  S14  1  0.219  0.930  0.429  1.0
  S  S15  1  0.781  0.070  0.571  1.0
  S  S16  1  0.404  0.797  0.359  1.0
  S  S17  1  0.596  0.203  0.641  1.0
  S  S18  1  0.693  0.379  0.586  1.0
  S  S19  1  0.307  0.621  0.414  1.0
  S  S20  1  0.161  0.397  0.720  1.0
  S  S21  1  0.839  0.603  0.280  1.0
  S  S22  1  0.103  0.209  0.757  1.0
  S  S23  1  0.897  0.791  0.243  1.0
  S  S24  1  0.285  0.083  0.885  1.0
  S  S25  1  0.715  0.917  0.115  1.0
  S  S26  1  0.166  0.086  0.059  1.0
  S  S27  1  0.834  0.914  0.941  1.0
  S  S28  1  0.709  0.796  0.872  1.0
  S  S29  1  0.291  0.204  0.128  1.0
  S  S30  1  0.848  0.603  0.925  1.0
  S  S31  1  0.152  0.397  0.075  1.0
[/CIF]
.