data_[Cs1V2Pb1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8028]
_cell_length_b [6.8028]
_cell_length_c [10.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsV2PbCl8]
_chemical_formula_sum '[Cs1 V2 Pb1 Cl8]'
_cell_volume [405.8345]
_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  1  0.0000  0.0000  0.0000  1
  V  V1  2  0.3333  0.6667  0.7458  1
  Pb  Pb2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  6  0.0098  0.3399  0.6812  1
  Cl  Cl4  2  0.3333  0.6667  0.9678  1
]