data_[Cs2Ir4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [18.0009]
_cell_length_b [4.9259]
_cell_length_c [7.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(IrCl4)2]
_chemical_formula_sum '[Cs2 Ir4 Cl16]'
_cell_volume [642.7309]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.0000  1
  Ir  Ir1  4  0.1915  0.5000  0.5918  1
  Cl  Cl2  4  0.0902  0.5000  0.7262  1
  Cl  Cl3  4  0.1074  0.5000  0.2990  1
  Cl  Cl4  4  0.2019  0.0000  0.5530  1
  Cl  Cl5  4  0.2227  0.0000  0.1271  1
]