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 [C2/c]
_cell_length_a [5.8917]
_cell_length_b [11.3972]
_cell_length_c [5.0107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al3Ag]
_chemical_formula_sum '[Al12 Ag4]'
_cell_volume [272.2537]
_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  4  0.0000  0.1893  0.7500  1.0
  Al  Al1  4  0.0000  0.3131  0.2500  1.0
  Al  Al2  4  0.0000  0.4366  0.7500  1.0
  Ag  Ag3  4  0.0000  0.0670  0.2500  1.0
]