data_[La20Si8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9870]
_cell_length_b [8.0068]
_cell_length_c [7.9611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(SiAu)2]
_chemical_formula_sum '[La20 Si8 Au8]'
_cell_volume [1019.0509]
_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  16  0.1342  0.1781  0.3280  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.0000  0.1133  0.6134  1
  Au  Au3  8  0.2073  0.0000  0.0000  1
]