data_[Ba1Cd8Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0706]
_cell_length_b [6.0706]
_cell_length_c [10.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaCd8Pb3]
_chemical_formula_sum '[Ba1 Cd8 Pb3]'
_cell_volume [332.3803]
_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  1  0.0000  0.0000  0.4377  1.0
  Cd  Cd1  3  0.1631  0.3262  0.7540  1.0
  Cd  Cd2  3  0.5029  0.0058  0.2389  1.0
  Cd  Cd3  1  0.3333  0.6667  0.5016  1.0
  Cd  Cd4  1  0.3333  0.6667  0.9919  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0602  1.0
  Pb  Pb6  1  0.6667  0.3333  0.5984  1.0
  Pb  Pb7  1  0.6667  0.3333  0.9314  1.0
]