data_[In3Ag21Au36]
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-3]
_cell_length_a [12.4452]
_cell_length_b [12.4452]
_cell_length_c [8.5340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [InAg7Au12]
_chemical_formula_sum '[In3 Ag21 Au36]'
_cell_volume [1144.6935]
_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  0.0599  0.8153  0.9174  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5000  1.0
  Au  Au3  18  0.0576  0.8170  0.5821  1.0
  Au  Au4  18  0.0577  0.8362  0.2504  1.0
]