data_[Th8Al24Ag80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [13.1133]
_cell_length_b [13.1133]
_cell_length_c [13.1133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [ThAl3Ag10]
_chemical_formula_sum '[Th8 Al24 Ag80]'
_cell_volume [2254.9371]
_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
[
  Th  Th0  8  0.2500  0.2500  0.2500  1
  Al  Al1  24  0.0000  0.0000  0.2626  1
  Ag  Ag2  48  0.0000  0.1730  0.1730  1
  Ag  Ag3  32  0.1156  0.1156  0.3844  1
]