data_[Na1Bi1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  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 [6.8807]
_cell_length_b [8.9774]
_cell_length_c [7.2077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaBi(PbBr4)2]
_chemical_formula_sum '[Na1 Bi1 Pb2 Br8]'
_cell_volume [445.1863]
_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  1  0.0000  0.5000  0.0000  1.0
  Bi  Bi1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2560  0.5000  1.0
  Br  Br3  4  0.2338  0.2405  0.1525  1.0
  Br  Br4  2  0.2394  0.0000  0.6700  1.0
  Br  Br5  2  0.2655  0.5000  0.6601  1.0
]