data_[Ta2Hg2O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8567]
_cell_length_b [3.9124]
_cell_length_c [10.3894]
_cell_angle_alpha [87.1429]
_cell_angle_beta [80.5623]
_cell_angle_gamma [89.7142]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaHgO3]
_chemical_formula_sum '[Ta2 Hg2 O6]'
_cell_volume [154.4484]
_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
[
  Ta  Ta0  2  0.3087  0.5460  0.8660  1
  Hg  Hg1  2  0.1490  0.1794  0.5769  1
  O  O2  2  0.2122  0.4838  0.0833  1
  O  O3  2  0.3147  0.0297  0.8657  1
  O  O4  2  0.3741  0.5539  0.6802  1
]