data_[La6Y6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0502]
_cell_length_b [12.4155]
_cell_length_c [8.4237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaYAu]
_chemical_formula_sum '[La6 Y6 Au6]'
_cell_volume [528.1779]
_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
[
  La  La0  4  0.5000  0.1949  0.9407  1.0
  La  La1  2  0.5000  0.0000  0.3401  1.0
  Y  Y2  4  0.0000  0.1372  0.6299  1.0
  Y  Y3  2  0.0000  0.0000  0.0203  1.0
  Au  Au4  4  0.0000  0.1585  0.2819  1.0
  Au  Au5  2  0.5000  0.0000  0.7144  1.0
]