data_[In3Ag36Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4359]
_cell_length_b [11.4359]
_cell_length_c [9.5333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In(Ag2Au)6]
_chemical_formula_sum '[In3 Ag36 Au18]'
_cell_volume [1079.7316]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  18  0.0000  0.2645  0.0000  1.0
  Ag  Ag2  18  0.0699  0.5350  0.1213  1.0
  Au  Au3  18  0.0847  0.1694  0.7485  1.0
]