data_[Hg4Ir4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5272]
_cell_length_b [3.9264]
_cell_length_c [6.7396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgIrO3]
_chemical_formula_sum '[Hg4 Ir4 O12]'
_cell_volume [277.0320]
_cell_formula_units_Z [4]
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  4  0.1148  0.5000  0.4267  1
  Ir  Ir1  4  0.1358  0.0000  0.9220  1
  O  O2  4  0.0490  0.0000  0.1745  1
  O  O3  4  0.1767  0.5000  0.9533  1
  O  O4  4  0.1807  0.0000  0.6505  1
]