data_[Cd4Ir2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4305]
_cell_length_b [3.1245]
_cell_length_c [4.8100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2IrCl]
_chemical_formula_sum '[Cd4 Ir2 Cl2]'
_cell_volume [155.9718]
_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
[
  Cd  Cd0  2  0.2683  0.0000  0.3101  1
  Cd  Cd1  2  0.4810  0.5000  0.9279  1
  Ir  Ir2  2  0.2172  0.5000  0.8140  1
  Cl  Cl3  2  0.0336  0.5000  0.4480  1
]