data_[Li16Cd4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [13.9015]
_cell_length_b [4.2512]
_cell_length_c [6.5848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Cd2Ir]
_chemical_formula_sum '[Li16 Cd4 Ir2]'
_cell_volume [363.0852]
_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
[
  Li  Li0  4  0.0350  0.0000  0.7500  1.0
  Li  Li1  4  0.0883  0.5000  0.4223  1.0
  Li  Li2  4  0.1287  0.0000  0.1608  1.0
  Li  Li3  4  0.1658  0.5000  0.8978  1.0
  Cd  Cd4  4  0.2233  0.0000  0.6476  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]