data_[Cs4V4S8]
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 [C2/c]
_cell_length_a [7.5385]
_cell_length_b [12.6685]
_cell_length_c [5.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsVS2]
_chemical_formula_sum '[Cs4 V4 S8]'
_cell_volume [498.3259]
_cell_formula_units_Z [4]
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  4  0.0000  0.3485  0.7500  1.0
  V  V1  4  0.0000  0.0019  0.2500  1.0
  S  S2  8  0.1777  0.0972  0.5910  1.0
]