data_[Ir2Au2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  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 [8.2655]
_cell_length_b [5.2482]
_cell_length_c [8.2088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrAu(SO4)2]
_chemical_formula_sum '[Ir2 Au2 S4 O16]'
_cell_volume [351.5009]
_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
  Au  Au1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1728  0.5000  0.1935  1.0
  O  O3  8  0.0639  0.2678  0.1831  1.0
  O  O4  4  0.2330  0.0000  0.6386  1.0
  O  O5  4  0.2349  0.0000  0.9474  1.0
]