data_[V2Hg2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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 [3.5834]
_cell_length_b [4.8787]
_cell_length_c [8.6258]
_cell_angle_alpha [93.6780]
_cell_angle_beta [101.5355]
_cell_angle_gamma [91.2552]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VHgO3]
_chemical_formula_sum '[V2 Hg2 O6]'
_cell_volume [147.3592]
_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
[
  V  V0  2  0.3237  0.6201  0.1378  1
  Hg  Hg1  2  0.1404  0.1803  0.4230  1
  O  O2  2  0.2052  0.4775  0.9102  1
  O  O3  2  0.3455  0.9535  0.1600  1
  O  O4  2  0.3976  0.5142  0.3283  1
]