data_[V8Hg16O32]
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 [P2_1/c]
_cell_length_a [3.7405]
_cell_length_b [16.8571]
_cell_length_c [15.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [V(HgO2)2]
_chemical_formula_sum '[V8 Hg16 O32]'
_cell_volume [928.2355]
_cell_formula_units_Z [8]
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  4  0.1242  0.1721  0.1286  1
  V  V1  4  0.3834  0.6787  0.8794  1
  Hg  Hg2  4  0.0068  0.1689  0.8761  1
  Hg  Hg3  4  0.1192  0.6781  0.1250  1
  Hg  Hg4  4  0.2531  0.0056  0.7499  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
  Hg  Hg6  2  0.5000  0.0000  0.0000  1
  O  O7  4  0.0394  0.1076  0.0397  1
  O  O8  4  0.1214  0.2098  0.6251  1
  O  O9  4  0.2110  0.5513  0.1254  1
  O  O10  4  0.2160  0.1209  0.2261  1
  O  O11  4  0.2888  0.6146  0.7905  1
  O  O12  4  0.3707  0.0645  0.8754  1
  O  O13  4  0.3802  0.7031  0.3761  1
  O  O14  4  0.4817  0.6274  0.9770  1
]