data_[Al24B4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.7937]
_cell_length_b [8.7937]
_cell_length_c [8.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Al6BPb2]
_chemical_formula_sum '[Al24 B4 Pb8]'
_cell_volume [680.0193]
_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
[
  Al  Al0  24  0.0000  0.0000  0.2588  1
  B  B1  4  0.0000  0.0000  0.0000  1
  Pb  Pb2  8  0.2500  0.2500  0.2500  1
]