data_[Bi2Pb2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [17.4879]
_cell_length_b [4.4726]
_cell_length_c [19.6283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiPbI4]
_chemical_formula_sum '[Bi2 Pb2 I8]'
_cell_volume [1535.2541]
_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  0.1303  0.7500  0.5174  1
  Pb  Pb1  2  0.3880  0.2500  0.5227  1
  I  I2  2  0.0380  0.2500  0.5885  1
  I  I3  2  0.2157  0.2500  0.4337  1
  I  I4  2  0.3165  0.7500  0.6179  1
  I  I5  2  0.4476  0.7500  0.4083  1
]