data_[La12Cd4Ir2]
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 [P2_1/c]
_cell_length_a [7.3049]
_cell_length_b [7.5995]
_cell_length_c [13.1928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Cd2Ir]
_chemical_formula_sum '[La12 Cd4 Ir2]'
_cell_volume [615.4300]
_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  4  0.1494  0.7050  0.9604  1.0
  La  La1  4  0.2593  0.1862  0.9591  1.0
  La  La2  4  0.3471  0.0051  0.2522  1.0
  Cd  Cd3  4  0.2041  0.5781  0.2447  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]