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 [3.6500]
_cell_length_b [5.0722]
_cell_length_c [8.7944]
_cell_angle_alpha [92.7468]
_cell_angle_beta [101.5716]
_cell_angle_gamma [92.8118]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VHgO3]
_chemical_formula_sum '[V2 Hg2 O6]'
_cell_volume [159.0357]
_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  0.3253  0.6115  0.1368  1.0
  Hg  Hg1  2  0.1473  0.1784  0.4246  1.0
  O  O2  2  0.2049  0.4793  0.9112  1.0
  O  O3  2  0.3581  0.9349  0.1608  1.0
  O  O4  2  0.4035  0.5008  0.3263  1.0
]