data_CsV(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsV(SO4)2
_chemical_formula_sum   'Cs1 V1 S2 O8'
_cell_volume   173.93
_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  0.0  0.0  0.33  1.0
  V  V11  1  0.0  0.0  0.0  1.0
  S  S9  1  0.0  0.78  0.94  1.0
  S  S10  1  0.41  0.39  0.71  1.0
  O  O1  1  0.0  0.78  0.48  1.0
  O  O2  1  0.61  0.51  0.44  1.0
  O  O3  1  0.59  0.89  0.44  1.0
  O  O4  1  0.8  0.94  0.44  1.0
  O  O5  1  0.61  0.23  0.21  1.0
  O  O6  1  0.81  0.28  0.21  1.0
  O  O7  1  0.8  0.66  0.21  1.0
  O  O8  1  0.41  0.39  0.17  1.0

data_CsV(SO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsV(SO4)2
_chemical_formula_sum   'Cs1 V1 S2 O8'
_cell_volume   173.93
_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  0.0  0.0  0.33  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  S  S2  1  0.0  0.78  0.94  1.0
  S  S3  1  0.41  0.39  0.71  1.0
  O  O4  1  0.0  0.78  0.48  1.0
  O  O5  1  0.41  0.39  0.17  1.0
  O  O6  1  0.59  0.89  0.44  1.0
  O  O7  1  0.61  0.51  0.44  1.0
  O  O8  1  0.61  0.23  0.21  1.0
  O  O9  1  0.8  0.94  0.44  1.0
  O  O10  1  0.8  0.66  0.21  1.0
  O  O11  1  0.81  0.28  0.21  1.0

Cs V S S O O O O O O O O
CsV(SO4)2 crystallizes in the triclinic P1 space group. Cs(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Cs(1)-O(1) bond length is 1.71 Å. The Cs(1)-O(2) bond length is 2.89 Å. The Cs(1)-O(4) bond length is 1.31 Å. The Cs(1)-O(5) bond length is 2.75 Å. The Cs(1)-O(6) bond length is 2.19 Å. The Cs(1)-O(7) bond length is 1.72 Å. The Cs(1)-O(8) bond length is 2.35 Å. V(1) is bonded in a distorted single-bond geometry to one S(1), one S(2), and one O(8) atom. The V(1)-S(1) bond length is 1.17 Å. The V(1)-S(2) bond length is 3.14 Å. The V(1)-O(8) bond length is 2.43 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one V(1) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one V(1) and one O(2) atom. The S(2)-O(2) bond length is 2.50 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. The O(1)-O(2) bond length is 1.73 Å. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Cs(1), one S(2), one O(1), one O(3), and one O(4) atom. The O(2)-O(3) bond length is 1.88 Å. The O(2)-O(4) bond length is 1.81 Å. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) and one O(4) atom. The O(3)-O(4) bond length is 0.90 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1), one O(2), and one O(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Cs(1), one O(6), one O(7), and one O(8) atom. The O(5)-O(6) bond length is 0.90 Å. The O(5)-O(7) bond length is 1.81 Å. The O(5)-O(8) bond length is 1.55 Å. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cs(1) and one O(5) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cs(1), one O(5), and one O(8) atom. The O(7)-O(8) bond length is 1.73 Å. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Cs(1), one V(1), one O(5), and one O(7) atom.