data_[La12Pd8Au20]
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 [Ibam]
_cell_length_a [8.7250]
_cell_length_b [12.2050]
_cell_length_c [9.2783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La3Pd2Au5]
_chemical_formula_sum '[La12 Pd8 Au20]'
_cell_volume [988.0303]
_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  0.2025  0.6521  0.0000  1
  La  La1  4  0.0000  0.0000  0.2500  1
  Pd  Pd2  8  0.0415  0.1308  0.5000  1
  Au  Au3  8  0.0000  0.2612  0.2500  1
  Au  Au4  8  0.1489  0.4012  0.0000  1
  Au  Au5  4  0.0000  0.5000  0.2500  1
]