data_[Al18Sn3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.2001]
_cell_length_b [12.2001]
_cell_length_c [8.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al6SnAu12]
_chemical_formula_sum '[Al18 Sn3 Au36]'
_cell_volume [1085.7142]
_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
[
  Al  Al0  18  0.0687  0.5344  0.2413  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0000  0.3803  0.5000  1.0
  Au  Au3  18  0.0821  0.1642  0.2841  1.0
]