data_[Al12Ag4]
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 [Pnma]
_cell_length_a [5.1729]
_cell_length_b [9.3534]
_cell_length_c [5.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Al3Ag]
_chemical_formula_sum '[Al12 Ag4]'
_cell_volume [272.0734]
_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  0.2469  0.5006  0.6304  1.0
  Al  Al1  4  0.0810  0.2500  0.8799  1.0
  Ag  Ag2  4  0.0861  0.2500  0.3866  1.0
]