data_[Cs2V2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.4783]
_cell_length_b [5.9411]
_cell_length_c [7.5817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CsVS3]
_chemical_formula_sum '[Cs2 V2 S6]'
_cell_volume [298.0757]
_cell_formula_units_Z [2]
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  2  0.1812  0.5013  0.3525  1.0
  V  V1  2  0.4460  0.1349  0.9283  1.0
  S  S2  2  0.2530  0.4548  0.9111  1.0
  S  S3  2  0.3132  0.0121  0.6340  1.0
  S  S4  2  0.3171  0.9355  0.0816  1.0
]