The material structure described by CsSbS6 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(5), two equivalent S(6), and three equivalent S(4) atoms. Sb(1) is bonded in a distorted see-saw-like geometry to one S(1), one S(4), and two equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cs(1), one Sb(1), and one S(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cs(1), one S(1), and one S(6) atom. In the third S site, S(3) is bonded to two equivalent Cs(1) and two equivalent Sb(1) atoms to form distorted SCs2Sb2 trigonal pyramids that share corners with five equivalent S(4)Cs3SbS trigonal bipyramids, corners with two equivalent S(3)Cs2Sb2 trigonal pyramids, corners with four equivalent S(6)Cs2S2 trigonal pyramids,  an edgeedge with one S(3)Cs2Sb2 trigonal pyramid, and  a faceface with one S(4)Cs3SbS trigonal bipyramid. In the fourth S site, S(4) is bonded to three equivalent Cs(1), one Sb(1), and one S(5) atom to form distorted SCs3SbS trigonal bipyramids that share corners with two equivalent S(4)Cs3SbS trigonal bipyramids,  a cornercorner with one S(6)Cs2S2 trigonal pyramid, corners with five equivalent S(3)Cs2Sb2 trigonal pyramids, edges with two equivalent S(4)Cs3SbS trigonal bipyramids, edges with three equivalent S(6)Cs2S2 trigonal pyramids, and  a faceface with one S(3)Cs2Sb2 trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one S(4), and one S(6) atom. In the sixth S site, S(6) is bonded to two equivalent Cs(1), one S(2), and one S(5) atom to form distorted SCs2S2 trigonal pyramids that share  a cornercorner with one S(4)Cs3SbS trigonal bipyramid, corners with four equivalent S(3)Cs2Sb2 trigonal pyramids, edges with three equivalent S(4)Cs3SbS trigonal bipyramids, and  an edgeedge with one S(6)Cs2S2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.783
_cell_length_b   6.038
_cell_length_c   11.494
_cell_angle_alpha   71.788
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   974.577
_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  0.085  0.716  0.689  1.0
  Cs  Cs1  1  0.585  0.284  0.811  1.0
  Cs  Cs2  1  0.915  0.284  0.311  1.0
  Cs  Cs3  1  0.415  0.716  0.189  1.0
  Sb  Sb4  1  0.406  0.914  0.614  1.0
  Sb  Sb5  1  0.906  0.086  0.886  1.0
  Sb  Sb6  1  0.594  0.086  0.386  1.0
  Sb  Sb7  1  0.094  0.914  0.114  1.0
  S  S8  1  0.383  0.328  0.619  1.0
  S  S9  1  0.883  0.672  0.881  1.0
  S  S10  1  0.617  0.672  0.381  1.0
  S  S11  1  0.117  0.328  0.119  1.0
  S  S12  1  0.276  0.269  0.739  1.0
  S  S13  1  0.776  0.731  0.761  1.0
  S  S14  1  0.724  0.731  0.261  1.0
  S  S15  1  0.224  0.269  0.239  1.0
  S  S16  1  0.068  0.112  0.875  1.0
  S  S17  1  0.568  0.888  0.625  1.0
  S  S18  1  0.932  0.888  0.125  1.0
  S  S19  1  0.432  0.112  0.375  1.0
  S  S20  1  0.068  0.751  0.362  1.0
  S  S21  1  0.568  0.249  0.138  1.0
  S  S22  1  0.932  0.249  0.638  1.0
  S  S23  1  0.432  0.751  0.862  1.0
  S  S24  1  0.188  0.587  0.423  1.0
  S  S25  1  0.688  0.413  0.077  1.0
  S  S26  1  0.812  0.413  0.577  1.0
  S  S27  1  0.312  0.587  0.923  1.0
  S  S28  1  0.178  0.254  0.411  1.0
  S  S29  1  0.678  0.746  0.089  1.0
  S  S30  1  0.822  0.746  0.589  1.0
  S  S31  1  0.322  0.254  0.911  1.0
[/CIF]
.
The material structure described by CsSbS6 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 11-coordinate geometry to one S(1), one S(2), two equivalent S(3), two equivalent S(5), two equivalent S(6), and three equivalent S(4) atoms. Sb(1) is bonded in a distorted see-saw-like geometry to one S(1), one S(4), and two equivalent S(3) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Cs(1), one Sb(1), and one S(2) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cs(1), one S(1), and one S(6) atom. In the third S site, S(3) is bonded to two equivalent Cs(1) and two equivalent Sb(1) atoms to form distorted SCs2Sb2 trigonal pyramids that share corners with five equivalent S(4)Cs3SbS trigonal bipyramids, corners with two equivalent S(3)Cs2Sb2 trigonal pyramids, corners with four equivalent S(6)Cs2S2 trigonal pyramids,  an edgeedge with one S(3)Cs2Sb2 trigonal pyramid, and  a faceface with one S(4)Cs3SbS trigonal bipyramid. In the fourth S site, S(4) is bonded to three equivalent Cs(1), one Sb(1), and one S(5) atom to form distorted SCs3SbS trigonal bipyramids that share corners with two equivalent S(4)Cs3SbS trigonal bipyramids,  a cornercorner with one S(6)Cs2S2 trigonal pyramid, corners with five equivalent S(3)Cs2Sb2 trigonal pyramids, edges with two equivalent S(4)Cs3SbS trigonal bipyramids, edges with three equivalent S(6)Cs2S2 trigonal pyramids, and  a faceface with one S(3)Cs2Sb2 trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one S(4), and one S(6) atom. In the sixth S site, S(6) is bonded to two equivalent Cs(1), one S(2), and one S(5) atom to form distorted SCs2S2 trigonal pyramids that share  a cornercorner with one S(4)Cs3SbS trigonal bipyramid, corners with four equivalent S(3)Cs2Sb2 trigonal pyramids, edges with three equivalent S(4)Cs3SbS trigonal bipyramids, and  an edgeedge with one S(6)Cs2S2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSbS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.783
_cell_length_b   6.038
_cell_length_c   11.494
_cell_angle_alpha   71.788
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   974.577
_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  0.085  0.716  0.689  1.0
  Cs  Cs1  1  0.585  0.284  0.811  1.0
  Cs  Cs2  1  0.915  0.284  0.311  1.0
  Cs  Cs3  1  0.415  0.716  0.189  1.0
  Sb  Sb4  1  0.406  0.914  0.614  1.0
  Sb  Sb5  1  0.906  0.086  0.886  1.0
  Sb  Sb6  1  0.594  0.086  0.386  1.0
  Sb  Sb7  1  0.094  0.914  0.114  1.0
  S  S8  1  0.383  0.328  0.619  1.0
  S  S9  1  0.883  0.672  0.881  1.0
  S  S10  1  0.617  0.672  0.381  1.0
  S  S11  1  0.117  0.328  0.119  1.0
  S  S12  1  0.276  0.269  0.739  1.0
  S  S13  1  0.776  0.731  0.761  1.0
  S  S14  1  0.724  0.731  0.261  1.0
  S  S15  1  0.224  0.269  0.239  1.0
  S  S16  1  0.068  0.112  0.875  1.0
  S  S17  1  0.568  0.888  0.625  1.0
  S  S18  1  0.932  0.888  0.125  1.0
  S  S19  1  0.432  0.112  0.375  1.0
  S  S20  1  0.068  0.751  0.362  1.0
  S  S21  1  0.568  0.249  0.138  1.0
  S  S22  1  0.932  0.249  0.638  1.0
  S  S23  1  0.432  0.751  0.862  1.0
  S  S24  1  0.188  0.587  0.423  1.0
  S  S25  1  0.688  0.413  0.077  1.0
  S  S26  1  0.812  0.413  0.577  1.0
  S  S27  1  0.312  0.587  0.923  1.0
  S  S28  1  0.178  0.254  0.411  1.0
  S  S29  1  0.678  0.746  0.089  1.0
  S  S30  1  0.822  0.746  0.589  1.0
  S  S31  1  0.322  0.254  0.911  1.0
[/CIF]
.