data_[Cs3V2Pb1S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.4140]
_cell_length_b [7.4140]
_cell_length_c [9.9264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3V2PbS8]
_chemical_formula_sum '[Cs3 V2 Pb1 S8]'
_cell_volume [472.5269]
_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  2  0.3333  0.6667  0.3371  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  V  V2  2  0.3333  0.6667  0.7599  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  S  S4  6  0.1729  0.3458  0.6908  1.0
  S  S5  2  0.3333  0.6667  0.9724  1.0
]