data_[Cu4Ir2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1417]
_cell_length_b [7.5921]
_cell_length_c [5.8956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2IrCl8]
_chemical_formula_sum '[Cu4 Ir2 Cl16]'
_cell_volume [583.9599]
_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
[
  Cu  Cu0  4  0.1743  0.0000  0.6322  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0695  0.2104  0.7715  1.0
  Cl  Cl3  4  0.1552  0.0000  0.2379  1.0
  Cl  Cl4  4  0.1619  0.5000  0.2969  1.0
]