data_[In8Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [6.7410]
_cell_length_b [12.5350]
_cell_length_c [6.7866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GaAu3]
_chemical_formula_sum '[In8 Ga4 Au12]'
_cell_volume [526.6865]
_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
[
  In  In0  4  0.0000  0.0705  0.7500  1.0
  In  In1  4  0.0000  0.2207  0.2500  1.0
  Ga  Ga2  4  0.0000  0.3996  0.7500  1.0
  Au  Au3  8  0.1910  0.4222  0.4635  1.0
  Au  Au4  4  0.2500  0.2500  0.0000  1.0
]