data_[La20Au8]
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/c]
_cell_length_a [17.9750]
_cell_length_b [7.0138]
_cell_length_c [7.4023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Au2]
_chemical_formula_sum '[La20 Au8]'
_cell_volume [927.9262]
_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  0.0916  0.1112  0.9437  1.0
  La  La1  8  0.2228  0.4292  0.3033  1.0
  La  La2  4  0.0000  0.4289  0.2500  1.0
  Au  Au3  8  0.1117  0.3060  0.5739  1.0
]