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/m]
_cell_length_a [6.8352]
_cell_length_b [6.2196]
_cell_length_c [7.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsVS3]
_chemical_formula_sum '[Cs2 V2 S6]'
_cell_volume [307.3081]
_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  0.2898  0.7500  0.6664  1
  V  V1  2  0.0678  0.2500  0.9579  1
  S  S2  4  0.1486  0.0097  0.2127  1
  S  S3  2  0.3288  0.2500  0.8774  1
]