data_[V2Hg6O8]
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 [Pmn2_1]
_cell_length_a [7.5329]
_cell_length_b [6.5566]
_cell_length_c [5.5043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [VHg3O4]
_chemical_formula_sum '[V2 Hg6 O8]'
_cell_volume [271.8535]
_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  0.0000  0.0633  0.9982  1.0
  Hg  Hg1  4  0.2145  0.3962  0.4966  1.0
  Hg  Hg2  2  0.0000  0.7656  0.5113  1.0
  O  O3  4  0.1846  0.1733  0.1300  1.0
  O  O4  2  0.0000  0.1054  0.6825  1.0
  O  O5  2  0.0000  0.7935  0.0701  1.0
]