data_[Ba2Hg2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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]
_cell_length_a [5.9242]
_cell_length_b [10.2328]
_cell_length_c [5.2796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaHgIrO6]
_chemical_formula_sum '[Ba2 Hg2 Ir2 O12]'
_cell_volume [319.9924]
_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
[
  Ba  Ba0  2  0.0000  0.9539  0.5000  1.0
  Hg  Hg1  2  0.0000  0.3156  0.0000  1.0
  Ir  Ir2  2  0.0000  0.6594  0.0000  1.0
  O  O3  4  0.1748  0.5341  0.1616  1.0
  O  O4  4  0.1807  0.6972  0.7356  1.0
  O  O5  4  0.1946  0.8042  0.1739  1.0
]