data_[Hg2Ir2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [8.2102]
_cell_length_b [5.2044]
_cell_length_c [8.8254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgIr(SO4)2]
_chemical_formula_sum '[Hg2 Ir2 S4 O16]'
_cell_volume [374.5330]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1253  0.5000  0.8234  1.0
  O  O3  8  0.0123  0.2673  0.8341  1.0
  O  O4  4  0.1868  0.5000  0.6777  1.0
  O  O5  4  0.2486  0.5000  0.9631  1.0
]