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 [P1]
_cell_length_a [4.9821]
_cell_length_b [5.9423]
_cell_length_c [6.3079]
_cell_angle_alpha [103.7174]
_cell_angle_beta [96.0324]
_cell_angle_gamma [106.8858]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al2Ag3]
_chemical_formula_sum '[Al4 Ag6]'
_cell_volume [170.5321]
_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  1  0.1995  0.3943  0.4021  1.0
  Al  Al1  1  0.2087  0.9065  0.4039  1.0
  Al  Al2  1  0.4019  0.8079  0.8016  1.0
  Al  Al3  1  0.6000  0.6909  0.1987  1.0
  Ag  Ag4  1  0.0157  0.5125  0.0186  1.0
  Ag  Ag5  1  0.4040  0.3067  0.7913  1.0
  Ag  Ag6  1  0.5761  0.1996  0.1981  1.0
  Ag  Ag7  1  0.7967  0.0855  0.5861  1.0
  Ag  Ag8  1  0.8226  0.6041  0.5923  1.0
  Ag  Ag9  1  0.9747  0.9920  0.0073  1.0
]