data_[La8Y8Au12]
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 [I2_13]
_cell_length_a [9.1496]
_cell_length_b [9.1496]
_cell_length_c [9.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [La2Y2Au3]
_chemical_formula_sum '[La8 Y8 Au12]'
_cell_volume [765.9496]
_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
[
  La  La0  8  0.0726  0.0726  0.0726  1
  Y  Y1  8  0.1821  0.3179  0.6821  1
  Au  Au2  12  0.0000  0.2500  0.3927  1
]