data_[Al12Ag12]
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 [Cmm2]
_cell_length_a [5.9831]
_cell_length_b [8.0982]
_cell_length_c [8.4351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [AlAg]
_chemical_formula_sum '[Al12 Ag12]'
_cell_volume [408.6981]
_cell_formula_units_Z [12]
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  0.2500  0.2500  0.6641  1.0
  Al  Al1  2  0.0000  0.0000  0.8407  1.0
  Al  Al2  2  0.0000  0.5000  0.1671  1.0
  Al  Al3  2  0.0000  0.5000  0.5026  1.0
  Al  Al4  2  0.0000  0.5000  0.8273  1.0
  Ag  Ag5  4  0.2500  0.2500  0.3371  1.0
  Ag  Ag6  4  0.2500  0.2500  0.9868  1.0
  Ag  Ag7  2  0.0000  0.0000  0.1647  1.0
  Ag  Ag8  2  0.0000  0.0000  0.5216  1.0
]