data_[La16Cd2Ir4]
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/m]
_cell_length_a [15.4764]
_cell_length_b [7.2194]
_cell_length_c [6.6045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8CdIr2]
_chemical_formula_sum '[La16 Cd2 Ir4]'
_cell_volume [732.6663]
_cell_formula_units_Z [2]
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  0.1286  0.2416  0.3842  1.0
  La  La1  4  0.0722  0.5000  0.8357  1.0
  La  La2  4  0.2052  0.0000  0.8816  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.2287  0.5000  0.6782  1.0
]