data_[Ba8In20Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.9238]
_cell_length_b [15.2866]
_cell_length_c [7.5737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2In5Pb3]
_chemical_formula_sum '[Ba8 In20 Pb12]'
_cell_volume [1380.4976]
_cell_formula_units_Z [4]
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  8  0.2427  0.3737  0.0000  1.0
  In  In1  8  0.0000  0.2409  0.2500  1.0
  In  In2  8  0.1275  0.1293  0.0000  1.0
  In  In3  4  0.0000  0.5000  0.2500  1.0
  Pb  Pb4  8  0.1234  0.3704  0.5000  1.0
  Pb  Pb5  4  0.0000  0.0000  0.2500  1.0
]