data_[Ti1Hg1Ru1O6]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1817]
_cell_length_b [5.1817]
_cell_length_c [4.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [TiHgRuO6]
_chemical_formula_sum '[Ti1 Hg1 Ru1 O6]'
_cell_volume [113.9443]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  1  0.6667  0.3333  0.5000  1.0
  O  O3  6  0.3761  0.0043  0.7191  1.0
]