data_[La20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6811]
_cell_length_b [17.4478]
_cell_length_c [8.5798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Au3]
_chemical_formula_sum '[La20 Au12]'
_cell_volume [968.4433]
_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  0.1545  0.6882  0.6988  1.0
  La  La1  8  0.2068  0.8962  0.8666  1.0
  La  La2  4  0.2435  0.0000  0.4641  1.0
  Au  Au3  4  0.0000  0.1583  0.5000  1.0
  Au  Au4  4  0.0000  0.2500  0.0000  1.0
  Au  Au5  4  0.0957  0.5000  0.8325  1.0
]