data_[Y8Zn12Au16]
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 [Cmce]
_cell_length_a [5.7072]
_cell_length_b [15.3705]
_cell_length_c [8.0487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y2Zn3Au4]
_chemical_formula_sum '[Y8 Zn12 Au16]'
_cell_volume [706.0506]
_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  0.0000  0.1133  0.5875  1.0
  Zn  Zn1  8  0.2500  0.2239  0.2500  1.0
  Zn  Zn2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1834  0.9694  1.0
  Au  Au4  8  0.2500  0.0505  0.2500  1.0
]