The structure described by Cs4H4SeS3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(2), one O(3), one O(5), and one O(9) atom. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(16), one O(2), one O(4), one O(6), and one O(9) atom. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(15), one O(3), one O(4), and one O(7) atom. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(14), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(16) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(14) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(13) and one O(8) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Se(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(4), and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1), one Cs(3), one Cs(4), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cs(1), one H(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one H(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(3), one H(3), and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(4), one H(4), and one S(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), and one Se(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one S(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cs(2), one Cs(3), one Cs(4), and one S(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Cs(1), one Cs(3), one Cs(4), and one S(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(3), one H(4), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Cs(4), one H(3), and one S(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(3), one H(2), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cs(2), one H(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4H4SeS3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.881
_cell_length_b   7.969
_cell_length_c   8.394
_cell_angle_alpha   89.919
_cell_angle_beta   90.150
_cell_angle_gamma   108.434
_symmetry_Int_Tables_number   1
_cell_volume   500.144
_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  0.704  0.212  0.376  1.0
  Cs  Cs1  1  0.796  0.792  0.877  1.0
  Cs  Cs2  1  0.295  0.790  0.627  1.0
  Cs  Cs3  1  0.206  0.211  0.123  1.0
  H  H4  1  0.540  0.625  0.207  1.0
  H  H5  1  0.949  0.367  0.717  1.0
  H  H6  1  0.449  0.366  0.784  1.0
  H  H7  1  0.056  0.630  0.288  1.0
  Se  Se8  1  0.784  0.756  0.373  1.0
  S  S9  1  0.716  0.247  0.872  1.0
  S  S10  1  0.217  0.246  0.628  1.0
  S  S11  1  0.284  0.753  0.128  1.0
  O  O12  1  0.686  0.817  0.525  1.0
  O  O13  1  0.805  0.194  0.007  1.0
  O  O14  1  0.304  0.193  0.493  1.0
  O  O15  1  0.196  0.808  0.992  1.0
  O  O16  1  0.624  0.578  0.276  1.0
  O  O17  1  0.861  0.408  0.783  1.0
  O  O18  1  0.362  0.407  0.717  1.0
  O  O19  1  0.140  0.591  0.214  1.0
  O  O20  1  0.862  0.914  0.240  1.0
  O  O21  1  0.648  0.106  0.754  1.0
  O  O22  1  0.148  0.106  0.746  1.0
  O  O23  1  0.352  0.893  0.247  1.0
  O  O24  1  0.933  0.658  0.430  1.0
  O  O25  1  0.583  0.332  0.921  1.0
  O  O26  1  0.082  0.331  0.578  1.0
  O  O27  1  0.418  0.670  0.076  1.0
[/CIF]
.
The structure described by Cs4H4SeS3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(15), one O(2), one O(3), one O(5), and one O(9) atom. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(16), one O(2), one O(4), one O(6), and one O(9) atom. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(15), one O(3), one O(4), and one O(7) atom. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(14), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(16) and one O(5) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(14) and one O(7) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(13) and one O(8) atom. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(5), and one O(9) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(10), one O(14), one O(2), and one O(6) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(3), and one O(7) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(12), one O(16), one O(4), and one O(8) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one Se(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(4), and one S(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cs(1), one Cs(3), one Cs(4), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), and one S(3) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cs(1), one H(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one H(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(3), one H(3), and one S(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cs(4), one H(4), and one S(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), and one Se(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cs(1), one Cs(2), one Cs(3), and one S(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cs(2), one Cs(3), one Cs(4), and one S(2) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Cs(1), one Cs(3), one Cs(4), and one S(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(3), one H(4), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Cs(4), one H(3), and one S(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(3), one H(2), and one S(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cs(2), one H(1), and one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4H4SeS3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.881
_cell_length_b   7.969
_cell_length_c   8.394
_cell_angle_alpha   89.919
_cell_angle_beta   90.150
_cell_angle_gamma   108.434
_symmetry_Int_Tables_number   1
_cell_volume   500.144
_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  0.704  0.212  0.376  1.0
  Cs  Cs1  1  0.796  0.792  0.877  1.0
  Cs  Cs2  1  0.295  0.790  0.627  1.0
  Cs  Cs3  1  0.206  0.211  0.123  1.0
  H  H4  1  0.540  0.625  0.207  1.0
  H  H5  1  0.949  0.367  0.717  1.0
  H  H6  1  0.449  0.366  0.784  1.0
  H  H7  1  0.056  0.630  0.288  1.0
  Se  Se8  1  0.784  0.756  0.373  1.0
  S  S9  1  0.716  0.247  0.872  1.0
  S  S10  1  0.217  0.246  0.628  1.0
  S  S11  1  0.284  0.753  0.128  1.0
  O  O12  1  0.686  0.817  0.525  1.0
  O  O13  1  0.805  0.194  0.007  1.0
  O  O14  1  0.304  0.193  0.493  1.0
  O  O15  1  0.196  0.808  0.992  1.0
  O  O16  1  0.624  0.578  0.276  1.0
  O  O17  1  0.861  0.408  0.783  1.0
  O  O18  1  0.362  0.407  0.717  1.0
  O  O19  1  0.140  0.591  0.214  1.0
  O  O20  1  0.862  0.914  0.240  1.0
  O  O21  1  0.648  0.106  0.754  1.0
  O  O22  1  0.148  0.106  0.746  1.0
  O  O23  1  0.352  0.893  0.247  1.0
  O  O24  1  0.933  0.658  0.430  1.0
  O  O25  1  0.583  0.332  0.921  1.0
  O  O26  1  0.082  0.331  0.578  1.0
  O  O27  1  0.418  0.670  0.076  1.0
[/CIF]
.