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 [P2_1/m]
_cell_length_a [5.6704]
_cell_length_b [2.9667]
_cell_length_c [8.4688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al3Ag]
_chemical_formula_sum '[Al6 Ag2]'
_cell_volume [135.5298]
_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  0.0611  0.2500  0.3720  1.0
  Al  Al1  2  0.3040  0.2500  0.8762  1.0
  Al  Al2  2  0.4279  0.7500  0.6222  1.0
  Ag  Ag3  2  0.2032  0.7500  0.1302  1.0
]