data_[Ba4Th2Pb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Th  1.3000  1.8000  1.0800
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2876]
_cell_length_b [6.2839]
_cell_length_c [10.8550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2ThPbO6]
_chemical_formula_sum '[Ba4 Th2 Pb2 O12]'
_cell_volume [350.5324]
_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
[
  Ba  Ba0  4  0.2422  0.0214  0.2489  1
  Th  Th1  2  0.5000  0.0000  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1813  0.2272  0.9620  1
  O  O4  4  0.2326  0.7210  0.9616  1
  O  O5  4  0.3167  0.0145  0.7457  1
]