data_[Ga36Ag18Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.8190]
_cell_length_b [10.8190]
_cell_length_c [10.9772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ga12Ag6Au]
_chemical_formula_sum '[Ga36 Ag18 Au3]'
_cell_volume [1112.7509]
_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
[
  Ga  Ga0  18  0.0408  0.2526  0.9325  1
  Ga  Ga1  18  0.0543  0.2547  0.4429  1
  Ag  Ag2  18  0.0375  0.1745  0.6950  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]