data_[Y16Ni4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3827]
_cell_length_b [12.9497]
_cell_length_c [5.7057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y8Ni2Au]
_chemical_formula_sum '[Y16 Ni4 Au2]'
_cell_volume [594.9602]
_cell_formula_units_Z [2]
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  4  0.0029  0.2307  0.9914  1
  Y  Y1  4  0.2115  0.1301  0.5783  1
  Y  Y2  4  0.2952  0.3701  0.3967  1
  Y  Y3  2  0.1292  0.5000  0.8061  1
  Y  Y4  2  0.3778  0.0000  0.1767  1
  Ni  Ni5  4  0.0032  0.3031  0.4916  1
  Au  Au6  2  0.0014  0.0000  0.1007  1
]