data_[Ta2Ti2Hg2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [P4_2nm]
_cell_length_a [4.8955]
_cell_length_b [4.8955]
_cell_length_c [9.6027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [TaTiHgO6]
_chemical_formula_sum '[Ta2 Ti2 Hg2 O12]'
_cell_volume [230.1395]
_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  0.0000  0.0000  0.6671  1
  Ti  Ti1  2  0.0000  0.0000  0.3338  1
  Hg  Hg2  2  0.0000  0.0000  0.0008  1
  O  O3  4  0.1749  0.8251  0.4991  1
  O  O4  4  0.2163  0.7837  0.1998  1
  O  O5  4  0.2213  0.7787  0.8002  1
]