data_[Y8Ga20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.0067]
_cell_length_b [11.9349]
_cell_length_c [6.0652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Ga5Au3]
_chemical_formula_sum '[Y8 Ga20 Au12]'
_cell_volume [796.7466]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.2461  0.3756  0.0000  1
  Ga  Ga1  8  0.0000  0.2418  0.2500  1
  Ga  Ga2  8  0.1425  0.1205  0.0000  1
  Ga  Ga3  4  0.0000  0.5000  0.2500  1
  Au  Au4  8  0.1328  0.3697  0.5000  1
  Au  Au5  4  0.0000  0.0000  0.2500  1
]