data_[Ba8In8Pb32]
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 [Fmmm]
_cell_length_a [8.4426]
_cell_length_b [9.3851]
_cell_length_c [20.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [BaInPb4]
_chemical_formula_sum '[Ba8 In8 Pb32]'
_cell_volume [1633.0482]
_cell_formula_units_Z [8]
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  0.0000  0.2345  0.0000  1
  In  In1  8  0.2500  0.0000  0.2500  1
  Pb  Pb2  16  0.0000  0.2305  0.1717  1
  Pb  Pb3  16  0.2219  0.0000  0.3982  1
]