data_[Al20Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.8210]
_cell_length_b [8.1205]
_cell_length_c [11.4425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Al5Ag3]
_chemical_formula_sum '[Al20 Ag12]'
_cell_volume [540.8843]
_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  8  0.2500  0.2500  0.2524  1.0
  Al  Al1  4  0.0000  0.0000  0.1252  1.0
  Al  Al2  4  0.0000  0.0000  0.6255  1.0
  Al  Al3  4  0.0000  0.0000  0.8711  1.0
  Ag  Ag4  8  0.2500  0.2500  0.0063  1.0
  Ag  Ag5  4  0.0000  0.0000  0.3677  1.0
]