data_[Al16Ag8]
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/c]
_cell_length_a [14.1627]
_cell_length_b [5.6739]
_cell_length_c [5.0760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2Ag]
_chemical_formula_sum '[Al16 Ag8]'
_cell_volume [407.8084]
_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
[
  Al  Al0  8  0.0846  0.1333  0.0724  1.0
  Al  Al1  8  0.2493  0.3793  0.2518  1.0
  Ag  Ag2  8  0.0854  0.3592  0.5735  1.0
]