data_[Ba2Hg2I2O12]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.8239]
_cell_length_b [9.6778]
_cell_length_c [5.5911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaHgIO6]
_chemical_formula_sum '[Ba2 Hg2 I2 O12]'
_cell_volume [315.0478]
_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  0.9937  0.0000  1.0
  Hg  Hg1  2  0.0000  0.6653  0.5000  1.0
  I  I2  2  0.0000  0.3293  0.5000  1.0
  O  O3  4  0.1109  0.4766  0.7066  1.0
  O  O4  4  0.1347  0.2020  0.7131  1.0
  O  O5  4  0.2201  0.8286  0.6789  1.0
]