data_[Al8Ga4Au28]
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/c]
_cell_length_a [13.5885]
_cell_length_b [5.4147]
_cell_length_c [10.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2GaAu7]
_chemical_formula_sum '[Al8 Ga4 Au28]'
_cell_volume [718.3742]
_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  8  0.2072  0.4202  0.8053  1
  Ga  Ga1  4  0.0000  0.0817  0.7500  1
  Au  Au2  8  0.0919  0.1885  0.5723  1
  Au  Au3  8  0.1299  0.3066  0.9991  1
  Au  Au4  8  0.1935  0.8813  0.8597  1
  Au  Au5  4  0.0000  0.4144  0.2500  1
]