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 [6.8394]
_cell_length_b [6.2691]
_cell_length_c [7.7344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsVS3]
_chemical_formula_sum '[Cs2 V2 S6]'
_cell_volume [309.0587]
_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  0.2500  0.6667  1.0
  V  V1  2  0.0676  0.7500  0.9576  1.0
  S  S2  4  0.1475  0.5096  0.2115  1.0
  S  S3  2  0.3281  0.7500  0.8773  1.0
]