data_[Al12Ag8]
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 [C2]
_cell_length_a [4.9800]
_cell_length_b [14.3601]
_cell_length_c [5.0442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Al3Ag2]
_chemical_formula_sum '[Al12 Ag8]'
_cell_volume [341.0980]
_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  2  0.0000  0.1009  0.5000  1.0
  Al  Al1  2  0.0000  0.2032  0.0000  1.0
  Al  Al2  2  0.0000  0.2994  0.5000  1.0
  Al  Al3  2  0.0000  0.4009  0.0000  1.0
  Al  Al4  2  0.0000  0.6013  0.0000  1.0
  Al  Al5  2  0.0000  0.7011  0.5000  1.0
  Ag  Ag6  2  0.0000  0.0074  0.0000  1.0
  Ag  Ag7  2  0.0000  0.5050  0.5000  1.0
  Ag  Ag8  2  0.0000  0.7963  0.0000  1.0
  Ag  Ag9  2  0.0000  0.8974  0.5000  1.0
]