data_[Bi2Pb2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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_1/m]
_cell_length_a [8.4727]
_cell_length_b [4.3354]
_cell_length_c [14.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiPbBr5]
_chemical_formula_sum '[Bi2 Pb2 Br10]'
_cell_volume [517.6986]
_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
[
  Bi  Bi0  2  0.4109  0.7500  0.3512  1
  Pb  Pb1  2  0.0866  0.2500  0.1395  1
  Br  Br2  2  0.0703  0.7500  0.3164  1
  Br  Br3  2  0.1504  0.2500  0.9316  1
  Br  Br4  2  0.3147  0.2500  0.4841  1
  Br  Br5  2  0.3557  0.7500  0.1405  1
  Br  Br6  2  0.3831  0.7500  0.7036  1
]