data_[Ti2Hg2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7975]
_cell_length_b [6.3443]
_cell_length_c [7.6372]
_cell_angle_alpha [68.8531]
_cell_angle_beta [83.5475]
_cell_angle_gamma [76.7581]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiHgO3]
_chemical_formula_sum '[Ti2 Hg2 O6]'
_cell_volume [166.9565]
_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
[
  Ti  Ti0  2  0.2841  0.5114  0.8343  1.0
  Hg  Hg1  2  0.0939  0.2071  0.5859  1.0
  O  O2  2  0.2335  0.7789  0.6226  1.0
  O  O3  2  0.2348  0.4770  0.1086  1.0
  O  O4  2  0.4047  0.2576  0.7666  1.0
]