data_[Ba3Sc1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0970]
_cell_length_b [6.0970]
_cell_length_c [7.1215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Sc(PbO3)2]
_chemical_formula_sum '[Ba3 Sc1 Pb2 O6]'
_cell_volume [229.2626]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3772  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.3333  0.6667  0.8649  1.0
  O  O4  6  0.1640  0.3281  0.6766  1.0
]