data_[Ba12Pt6Pb6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0818]
_cell_length_b [6.0818]
_cell_length_c [30.3908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2PtPbO6]
_chemical_formula_sum '[Ba12 Pt6 Pb6 O36]'
_cell_volume [973.5045]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1271  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2757  1.0
  Pt  Pt2  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt3  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  6  0.0000  0.0000  0.4039  1.0
  O  O5  18  0.0298  0.5149  0.1244  1.0
  O  O6  18  0.0427  0.5213  0.7107  1.0
]