data_[Ba2Cd12Pb12]
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 [Immm]
_cell_length_a [6.0484]
_cell_length_b [10.9212]
_cell_length_c [11.5422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba(CdPb)6]
_chemical_formula_sum '[Ba2 Cd12 Pb12]'
_cell_volume [762.4364]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  4  0.0000  0.5000  0.2786  1.0
  Pb  Pb3  4  0.0000  0.0000  0.3531  1.0
  Pb  Pb4  4  0.0000  0.3036  0.5000  1.0
  Pb  Pb5  4  0.0000  0.3471  0.0000  1.0
]