data_[Al8Ag4Au16]
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 [C2/c]
_cell_length_a [10.1413]
_cell_length_b [7.9070]
_cell_length_c [8.1804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2AgAu4]
_chemical_formula_sum '[Al8 Ag4 Au16]'
_cell_volume [536.3186]
_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  4  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.2500  0.2500  0.5000  1
  Ag  Ag2  4  0.0000  0.3655  0.7500  1
  Au  Au3  8  0.0489  0.3174  0.1161  1
  Au  Au4  8  0.1906  0.0638  0.8888  1
]