The material structure described by Cs4MgTi2(AgS2)4 crystallizes in the monoclinic Pm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), four equivalent S(3), and four equivalent S(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent S(2), and four equivalent S(1) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to four equivalent S(3) and four equivalent S(4) atoms. Mg(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), and two equivalent S(2) atoms. Ti(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form TiS4 tetrahedra that share edges with two equivalent Ag(2)CsS4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Cs(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Ag site, Ag(2) is bonded to one Cs(1), one S(1), one S(2), one S(3), and one S(4) atom to form distorted AgCsS4 tetrahedra that share  a cornercorner with one Ag(2)CsS4 tetrahedra and edges with two equivalent Ti(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(3), one Ti(1), one Ag(1), and one Ag(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Mg(1), one Ti(1), one Ag(1), and one Ag(2) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(4), one Ti(1), one Ag(1), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(4), one Ti(1), one Ag(1), and one Ag(2) atom. is represented by the CIF file [CIF]
data_Cs4MgTi2(AgS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   6.258
_cell_length_c   14.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.177
_symmetry_Int_Tables_number   1
_cell_volume   563.403
_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  0.761  0.764  0.000  1.0
  Cs  Cs1  1  0.259  0.852  0.500  1.0
  Cs  Cs2  1  0.677  0.189  0.500  1.0
  Cs  Cs3  1  0.241  0.238  0.000  1.0
  Mg  Mg4  1  0.118  0.391  0.500  1.0
  Ti  Ti5  1  0.505  0.501  0.755  1.0
  Ti  Ti6  1  0.505  0.501  0.245  1.0
  Ag  Ag7  1  0.995  0.507  0.753  1.0
  Ag  Ag8  1  0.514  0.993  0.758  1.0
  Ag  Ag9  1  0.995  0.507  0.247  1.0
  Ag  Ag10  1  0.514  0.993  0.242  1.0
  S  S11  1  0.699  0.696  0.651  1.0
  S  S12  1  0.296  0.290  0.662  1.0
  S  S13  1  0.699  0.696  0.349  1.0
  S  S14  1  0.724  0.284  0.151  1.0
  S  S15  1  0.286  0.720  0.847  1.0
  S  S16  1  0.296  0.290  0.338  1.0
  S  S17  1  0.286  0.720  0.153  1.0
  S  S18  1  0.724  0.284  0.849  1.0
[/CIF]
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The material structure described by Cs4MgTi2(AgS2)4 crystallizes in the monoclinic Pm space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), four equivalent S(3), and four equivalent S(4) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent S(1), and two equivalent S(2) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Mg(1), two equivalent S(2), and four equivalent S(1) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to four equivalent S(3) and four equivalent S(4) atoms. Mg(1) is bonded in a 2-coordinate geometry to one Cs(3), two equivalent Cs(2), and two equivalent S(2) atoms. Ti(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form TiS4 tetrahedra that share edges with two equivalent Ag(2)CsS4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Cs(1), one S(1), one S(2), one S(3), and one S(4) atom. In the second Ag site, Ag(2) is bonded to one Cs(1), one S(1), one S(2), one S(3), and one S(4) atom to form distorted AgCsS4 tetrahedra that share  a cornercorner with one Ag(2)CsS4 tetrahedra and edges with two equivalent Ti(1)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(3), one Ti(1), one Ag(1), and one Ag(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(2), one Cs(3), one Mg(1), one Ti(1), one Ag(1), and one Ag(2) atom. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(4), one Ti(1), one Ag(1), and one Ag(2) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(4), one Ti(1), one Ag(1), and one Ag(2) atom. is represented by the CIF file [CIF]
data_Cs4MgTi2(AgS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   6.258
_cell_length_c   14.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.177
_symmetry_Int_Tables_number   1
_cell_volume   563.403
_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  0.761  0.764  0.000  1.0
  Cs  Cs1  1  0.259  0.852  0.500  1.0
  Cs  Cs2  1  0.677  0.189  0.500  1.0
  Cs  Cs3  1  0.241  0.238  0.000  1.0
  Mg  Mg4  1  0.118  0.391  0.500  1.0
  Ti  Ti5  1  0.505  0.501  0.755  1.0
  Ti  Ti6  1  0.505  0.501  0.245  1.0
  Ag  Ag7  1  0.995  0.507  0.753  1.0
  Ag  Ag8  1  0.514  0.993  0.758  1.0
  Ag  Ag9  1  0.995  0.507  0.247  1.0
  Ag  Ag10  1  0.514  0.993  0.242  1.0
  S  S11  1  0.699  0.696  0.651  1.0
  S  S12  1  0.296  0.290  0.662  1.0
  S  S13  1  0.699  0.696  0.349  1.0
  S  S14  1  0.724  0.284  0.151  1.0
  S  S15  1  0.286  0.720  0.847  1.0
  S  S16  1  0.296  0.290  0.338  1.0
  S  S17  1  0.286  0.720  0.153  1.0
  S  S18  1  0.724  0.284  0.849  1.0
[/CIF]
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