data_[Y8Zn12Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.3056]
_cell_length_b [13.4912]
_cell_length_c [5.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Zn3Au5]
_chemical_formula_sum '[Y8 Zn12 Au20]'
_cell_volume [792.6941]
_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  0.2205  0.3521  0.5000  1.0
  Zn  Zn1  8  0.0857  0.3472  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0000  0.2500  1.0
  Au  Au3  8  0.0000  0.2004  0.2500  1.0
  Au  Au4  8  0.1927  0.0730  0.5000  1.0
  Au  Au5  4  0.0000  0.5000  0.2500  1.0
]