data_[La4Y4Au12]
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 [Cmcm]
_cell_length_a [3.7398]
_cell_length_b [28.5040]
_cell_length_c [4.6223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaYAu3]
_chemical_formula_sum '[La4 Y4 Au12]'
_cell_volume [492.7424]
_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  4  0.0000  0.0737  0.7500  1
  Y  Y1  4  0.0000  0.2070  0.2500  1
  Au  Au2  4  0.0000  0.3136  0.2500  1
  Au  Au3  4  0.0000  0.3760  0.7500  1
  Au  Au4  4  0.0000  0.4733  0.7500  1
]