The structure described by Cs4Mg(TiS3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(6), and two equivalent S(4) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one S(1), one S(5), and two equivalent S(3) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and two equivalent S(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 9-coordinate geometry to one Mg(1), one S(2), one S(4), one S(5), one S(6), two equivalent S(1), and two equivalent S(3) atoms. Mg(1) is bonded in a distorted see-saw-like geometry to one Cs(4), one S(1), one S(2), one S(4), one S(5), and one S(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and one S(6) atom. In the second Ti site, Ti(2) is bonded in a distorted trigonal bipyramidal geometry to one S(1), one S(2), one S(4), one S(5), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), two equivalent Cs(4), and one Ti(1) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), one Mg(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Cs4Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   8.762
_cell_length_c   6.767
_cell_angle_alpha   106.597
_cell_angle_beta   94.150
_cell_angle_gamma   89.583
_symmetry_Int_Tables_number   1
_cell_volume   384.782
_cell_formula_units_Z   1
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  0.226  0.978  0.409  1.0
  Cs  Cs1  1  0.753  0.099  0.695  1.0
  Cs  Cs2  1  0.736  0.747  0.956  1.0
  Cs  Cs3  1  0.295  0.227  0.064  1.0
  Mg  Mg4  1  0.248  0.589  0.002  1.0
  Ti  Ti5  1  0.790  0.436  0.423  1.0
  Ti  Ti6  1  0.226  0.573  0.554  1.0
  S  S7  1  0.493  0.404  0.628  1.0
  S  S8  1  0.005  0.591  0.279  1.0
  S  S9  1  0.805  0.177  0.219  1.0
  S  S10  1  0.238  0.812  0.835  1.0
  S  S11  1  0.019  0.419  0.707  1.0
  S  S12  1  0.489  0.606  0.311  1.0
[/CIF]
.
The structure described by Cs4Mg(TiS3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), one S(3), one S(6), and two equivalent S(4) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one S(1), one S(5), and two equivalent S(3) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one S(1), one S(2), one S(3), one S(5), one S(6), and two equivalent S(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 9-coordinate geometry to one Mg(1), one S(2), one S(4), one S(5), one S(6), two equivalent S(1), and two equivalent S(3) atoms. Mg(1) is bonded in a distorted see-saw-like geometry to one Cs(4), one S(1), one S(2), one S(4), one S(5), and one S(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(3), one S(5), and one S(6) atom. In the second Ti site, Ti(2) is bonded in a distorted trigonal bipyramidal geometry to one S(1), one S(2), one S(4), one S(5), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(2), two equivalent Cs(4), and one Ti(1) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), one Mg(1), and one Ti(2) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Cs4Mg(TiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   8.762
_cell_length_c   6.767
_cell_angle_alpha   106.597
_cell_angle_beta   94.150
_cell_angle_gamma   89.583
_symmetry_Int_Tables_number   1
_cell_volume   384.782
_cell_formula_units_Z   1
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  0.226  0.978  0.409  1.0
  Cs  Cs1  1  0.753  0.099  0.695  1.0
  Cs  Cs2  1  0.736  0.747  0.956  1.0
  Cs  Cs3  1  0.295  0.227  0.064  1.0
  Mg  Mg4  1  0.248  0.589  0.002  1.0
  Ti  Ti5  1  0.790  0.436  0.423  1.0
  Ti  Ti6  1  0.226  0.573  0.554  1.0
  S  S7  1  0.493  0.404  0.628  1.0
  S  S8  1  0.005  0.591  0.279  1.0
  S  S9  1  0.805  0.177  0.219  1.0
  S  S10  1  0.238  0.812  0.835  1.0
  S  S11  1  0.019  0.419  0.707  1.0
  S  S12  1  0.489  0.606  0.311  1.0
[/CIF]
.