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 [10.9384]
_cell_length_b [10.9384]
_cell_length_c [10.8375]
_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 [1122.9632]
_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  0.0414  0.2511  0.9341  1.0
  Ga  Ga1  18  0.0546  0.2556  0.4404  1.0
  Ag  Ag2  18  0.0376  0.1745  0.6948  1.0
  Au  Au3  3  0.0000  0.0000  0.0000  1.0
]