data_[La16Pd24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.5478]
_cell_length_b [9.7417]
_cell_length_c [15.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2Pd3Au]
_chemical_formula_sum '[La16 Pd24 Au8]'
_cell_volume [1124.8081]
_cell_formula_units_Z [8]
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  0.2478  0.0000  0.0000  1.0
  La  La1  8  0.2500  0.2500  0.2500  1.0
  Pd  Pd2  16  0.0000  0.2470  0.4120  1.0
  Pd  Pd3  8  0.0000  0.0000  0.1539  1.0
  Au  Au4  8  0.0000  0.0000  0.3307  1.0
]