data_[Al2Ag6Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9413]
_cell_length_b [4.2655]
_cell_length_c [23.8209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [AlAg3Au4]
_chemical_formula_sum '[Al2 Ag6 Au8]'
_cell_volume [298.8586]
_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  0.0000  0.5000  0.0000  1
  Ag  Ag1  4  0.0000  0.0000  0.2202  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  Au  Au3  4  0.0000  0.0000  0.1008  1
  Au  Au4  4  0.0000  0.0000  0.3419  1
]