data_[Al4Ga2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2608]
_cell_length_b [7.1506]
_cell_length_c [4.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2GaAu8]
_chemical_formula_sum '[Al4 Ga2 Au16]'
_cell_volume [417.1853]
_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  4  0.1331  0.0000  0.5528  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  8  0.0705  0.2973  0.7753  1.0
  Au  Au3  4  0.1499  0.5000  0.3082  1.0
  Au  Au4  4  0.2201  0.0000  0.1221  1.0
]