data_[La64Cd16Si16]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.4971]
_cell_length_b [14.4971]
_cell_length_c [14.4971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [La4CdSi]
_chemical_formula_sum '[La64 Cd16 Si16]'
_cell_volume [3046.7849]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1886  1
  La  La1  24  0.0620  0.2500  0.2500  1
  La  La2  16  0.1072  0.1072  0.6072  1
  Cd  Cd3  16  0.1699  0.1699  0.8301  1
  Si  Si4  16  0.1046  0.1046  0.3954  1
]