data_[Bi2Pb2I2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7640]
_cell_length_b [4.2298]
_cell_length_c [8.0258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiPbIO2]
_chemical_formula_sum '[Bi2 Pb2 I2 O4]'
_cell_volume [255.0525]
_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  0.3503  0.2500  0.5909  1.0
  Pb  Pb1  2  0.3306  0.2500  0.0724  1.0
  I  I2  2  0.0612  0.7500  0.7560  1.0
  O  O3  2  0.4765  0.7500  0.5990  1.0
  O  O4  2  0.4958  0.7500  0.1397  1.0
]