data_[Ir2S4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2277]
_cell_length_b [7.3457]
_cell_length_c [4.6529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir(SO4)2]
_chemical_formula_sum '[Ir2 S4 O16]'
_cell_volume [344.1605]
_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  1.0
  S  S1  4  0.1855  0.0000  0.6533  1.0
  O  O2  8  0.1100  0.1591  0.7693  1.0
  O  O3  4  0.1576  0.0000  0.3217  1.0
  O  O4  4  0.1744  0.5000  0.2537  1.0
]