data_[La24Cd8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6134]
_cell_length_b [14.8882]
_cell_length_c [7.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3CdIr]
_chemical_formula_sum '[La24 Cd8 Ir8]'
_cell_volume [1306.5770]
_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  0.0938  0.3570  0.0338  1.0
  La  La1  8  0.1270  0.0766  0.1197  1.0
  La  La2  8  0.1367  0.1982  0.6161  1.0
  Cd  Cd3  8  0.1577  0.4268  0.5190  1.0
  Ir  Ir4  4  0.0000  0.0689  0.7500  1.0
  Ir  Ir5  4  0.0000  0.2273  0.2500  1.0
]