data_[Cs2V2Pb2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0666]
_cell_length_b [7.3276]
_cell_length_c [9.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsVPbSe4]
_chemical_formula_sum '[Cs2 V2 Pb2 Se8]'
_cell_volume [480.1639]
_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  0.2674  0.2500  0.0695  1.0
  V  V1  2  0.2000  0.7500  0.3246  1.0
  Pb  Pb2  2  0.2486  0.2500  0.5611  1.0
  Se  Se3  4  0.0067  0.0004  0.7081  1.0
  Se  Se4  2  0.3910  0.7500  0.1701  1.0
  Se  Se5  2  0.3986  0.7500  0.5563  1.0
]