data_[Y16Ir4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5870]
_cell_length_b [12.8408]
_cell_length_c [5.7263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y8Ir2Au]
_chemical_formula_sum '[Y16 Ir4 Au2]'
_cell_volume [607.3940]
_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  0.1985  0.1309  0.6043  1
  Y  Y1  4  0.2923  0.3688  0.4193  1
  Y  Y2  4  0.4974  0.2666  0.0081  1
  Y  Y3  2  0.1266  0.5000  0.8182  1
  Y  Y4  2  0.3711  0.0000  0.2007  1
  Ir  Ir5  4  0.4959  0.1902  0.5100  1
  Au  Au6  2  0.0002  0.0000  0.8980  1
]