data_[Ba2Ti2Pb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4808]
_cell_length_b [6.1281]
_cell_length_c [7.6164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaTiPbO4]
_chemical_formula_sum '[Ba2 Ti2 Pb2 O8]'
_cell_volume [276.2528]
_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  2  0.2794  0.7500  0.0327  1.0
  Ti  Ti1  2  0.2883  0.2500  0.3009  1.0
  Pb  Pb2  2  0.1741  0.7500  0.4635  1.0
  O  O3  4  0.0914  0.0143  0.2308  1.0
  O  O4  2  0.4525  0.2500  0.1575  1.0
  O  O5  2  0.4808  0.2500  0.5572  1.0
]