data_[La4Cd8Au40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7320]
_cell_length_b [13.0469]
_cell_length_c [14.3378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La(CdAu5)2]
_chemical_formula_sum '[La4 Cd8 Au40]'
_cell_volume [1072.2547]
_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  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  8  0.2500  0.0000  0.2500  1.0
  Au  Au2  16  0.0000  0.1069  0.3934  1.0
  Au  Au3  16  0.0000  0.1746  0.1694  1.0
  Au  Au4  8  0.2500  0.2500  0.0000  1.0
]