data_[Cs4Hg4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2728]
_cell_length_b [10.2586]
_cell_length_c [7.0718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg2IrO6]
_chemical_formula_sum '[Cs4 Hg4 Ir2 O12]'
_cell_volume [427.5031]
_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  4  0.0000  0.1764  0.0000  1.0
  Hg  Hg1  4  0.0000  0.3355  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1856  0.1367  0.6674  1.0
  O  O4  4  0.2069  0.0000  0.3476  1.0
]