data_[Al4Ag4]
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 [P-1]
_cell_length_a [4.8050]
_cell_length_b [5.4639]
_cell_length_c [5.6814]
_cell_angle_alpha [74.6418]
_cell_angle_beta [89.7812]
_cell_angle_gamma [75.0388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlAg]
_chemical_formula_sum '[Al4 Ag4]'
_cell_volume [138.6257]
_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  0.2446  0.5153  0.1257  1.0
  Al  Al1  1  0.5000  0.0000  0.0000  1.0
  Al  Al2  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.0051  0.9909  0.2511  1.0
  Ag  Ag4  2  0.2553  0.4927  0.6434  1.0
]