data_[Na2V1Pb1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5660]
_cell_length_b [8.6396]
_cell_length_c [6.9591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2VPbBr8]
_chemical_formula_sum '[Na2 V1 Pb1 Br8]'
_cell_volume [394.4633]
_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
[
  Na  Na0  2  0.5000  0.2444  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2212  0.2063  0.8610  1.0
  Br  Br4  2  0.2188  0.0000  0.3008  1.0
  Br  Br5  2  0.2689  0.5000  0.3451  1.0
]