data_[Al2Ag12Au4]
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/m]
_cell_length_a [7.4613]
_cell_length_b [14.3616]
_cell_length_c [3.0572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(Ag3Au)2]
_chemical_formula_sum '[Al2 Ag12 Au4]'
_cell_volume [321.9722]
_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  0.0000  0.0000  1.0
  Ag  Ag1  8  0.1618  0.3302  0.8167  1.0
  Ag  Ag2  4  0.1719  0.5000  0.3275  1.0
  Au  Au3  4  0.0000  0.1489  0.5000  1.0
]