data_[La6Cd2Ir2]
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 [P-1]
_cell_length_a [6.4025]
_cell_length_b [6.6766]
_cell_length_c [7.2681]
_cell_angle_alpha [80.7632]
_cell_angle_beta [76.4561]
_cell_angle_gamma [87.1081]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3CdIr]
_chemical_formula_sum '[La6 Cd2 Ir2]'
_cell_volume [298.1080]
_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  2  0.1443  0.1783  0.0505  1.0
  La  La1  2  0.2607  0.1474  0.5335  1.0
  La  La2  2  0.3102  0.6565  0.1929  1.0
  Cd  Cd3  2  0.2638  0.6064  0.6845  1.0
  Ir  Ir4  2  0.4586  0.9287  0.8201  1.0
]