data_[Al6Ag2]
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 [4.9832]
_cell_length_b [5.0074]
_cell_length_c [5.7290]
_cell_angle_alpha [107.3837]
_cell_angle_beta [90.2762]
_cell_angle_gamma [98.4048]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al3Ag]
_chemical_formula_sum '[Al6 Ag2]'
_cell_volume [134.7811]
_cell_formula_units_Z [2]
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  0.1275  0.7552  0.6816  1.0
  Al  Al1  2  0.1299  0.7484  0.1940  1.0
  Al  Al2  2  0.3684  0.2511  0.5637  1.0
  Ag  Ag3  2  0.3693  0.2517  0.0685  1.0
]