data_[Y6In6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.6626]
_cell_length_b [3.9842]
_cell_length_c [7.8570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YInAu]
_chemical_formula_sum '[Y6 In6 Au6]'
_cell_volume [427.6995]
_cell_formula_units_Z [6]
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  0.0520  0.0000  0.7745  1.0
  Y  Y1  2  0.2500  0.0000  0.1708  1.0
  In  In2  4  0.1102  0.5000  0.4381  1.0
  In  In3  2  0.2500  0.5000  0.8246  1.0
  Au  Au4  4  0.0955  0.5000  0.0718  1.0
  Au  Au5  2  0.2500  0.0000  0.5648  1.0
]