data_[Ir2S4Cl2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1605]
_cell_length_b [5.2099]
_cell_length_c [9.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrS2ClO8]
_chemical_formula_sum '[Ir2 S4 Cl2 O16]'
_cell_volume [374.6406]
_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
[
  Ir  Ir0  2  0.0000  0.0000  0.0000  1
  S  S1  4  0.0791  0.5000  0.8253  1
  Cl  Cl2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0312  0.2692  0.1605  1
  O  O4  4  0.1032  0.5000  0.6812  1
  O  O5  4  0.2399  0.5000  0.9651  1
]