data_[Bi2Pb2O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2820]
_cell_length_b [4.2820]
_cell_length_c [11.4377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BiPbO4]
_chemical_formula_sum '[Bi2 Pb2 O8]'
_cell_volume [209.7146]
_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  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.5000  0.7500  1.0
  O  O2  4  0.0000  0.0000  0.1978  1.0
  O  O3  4  0.0000  0.5000  0.5515  1.0
]