data_[Al4Ag6]
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 [P4_2/m]
_cell_length_a [6.3857]
_cell_length_b [6.3857]
_cell_length_c [4.1777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [Al2Ag3]
_chemical_formula_sum '[Al4 Ag6]'
_cell_volume [170.3582]
_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  4  0.1052  0.1959  0.5000  1.0
  Ag  Ag1  4  0.2862  0.5980  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
]