data_[Ba4Pb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7169]
_cell_length_b [8.6790]
_cell_length_c [6.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPbO3]
_chemical_formula_sum '[Ba4 Pb4 O12]'
_cell_volume [330.9831]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.2435  0.5000  0.9946  1.0
  Pb  Pb1  4  0.2500  0.2500  0.5000  1.0
  O  O2  4  0.0000  0.2876  0.0000  1.0
  O  O3  4  0.0000  0.2931  0.5000  1.0
  O  O4  4  0.1804  0.0000  0.4390  1.0
]