data_[Na2V2Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.8741]
_cell_length_b [7.1810]
_cell_length_c [8.4744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaVPbSe4]
_chemical_formula_sum '[Na2 V2 Pb2 Se8]'
_cell_volume [396.0970]
_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
[
  Na  Na0  2  0.2219  0.2500  0.5473  1.0
  V  V1  2  0.2306  0.7500  0.3056  1.0
  Pb  Pb2  2  0.2229  0.2500  0.0521  1.0
  Se  Se3  4  0.0021  0.0020  0.2367  1.0
  Se  Se4  2  0.3999  0.7500  0.5795  1.0
  Se  Se5  2  0.4247  0.7500  0.1341  1.0
]