data_[Ta1Hg1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [5.2729]
_cell_length_b [5.2729]
_cell_length_c [5.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [TaHgRuO6]
_chemical_formula_sum '[Ta1 Hg1 Ru1 O6]'
_cell_volume [120.4466]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  1  0.3333  0.6667  0.0000  1.0
  Ru  Ru2  1  0.6667  0.3333  0.5000  1.0
  O  O3  6  0.3364  0.0371  0.2833  1.0
]