data_[Al4Ag8]
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 [5.7763]
_cell_length_b [5.7786]
_cell_length_c [7.4299]
_cell_angle_alpha [70.8104]
_cell_angle_beta [81.7847]
_cell_angle_gamma [62.1669]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlAg2]
_chemical_formula_sum '[Al4 Ag8]'
_cell_volume [207.1101]
_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  0.1774  0.3354  0.6658  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Al  Al2  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag3  2  0.1727  0.8335  0.6815  1.0
  Ag  Ag4  2  0.3202  0.1767  0.3412  1.0
  Ag  Ag5  2  0.3258  0.6711  0.3289  1.0
  Ag  Ag6  1  0.0000  0.5000  0.0000  1.0
  Ag  Ag7  1  0.5000  0.0000  0.0000  1.0
]