data_[V6H8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9707]
_cell_length_b [3.8279]
_cell_length_c [11.6067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [V3(HO2)4]
_chemical_formula_sum '[V6 H8 O16]'
_cell_volume [262.4842]
_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  0.1720  0.2500  0.0536  1
  V  V1  2  0.2381  0.2500  0.3083  1
  V  V2  2  0.3950  0.2500  0.5875  1
  H  H3  2  0.0320  0.7500  0.5309  1
  H  H4  2  0.2421  0.2500  0.7822  1
  H  H5  2  0.4112  0.7500  0.8360  1
  H  H6  2  0.4890  0.2500  0.9339  1
  O  O7  2  0.0195  0.2500  0.1954  1
  O  O8  2  0.1264  0.2500  0.4570  1
  O  O9  2  0.1331  0.7500  0.0469  1
  O  O10  2  0.2133  0.2500  0.6933  1
  O  O11  2  0.3163  0.7500  0.3255  1
  O  O12  2  0.3233  0.2500  0.9203  1
  O  O13  2  0.4272  0.2500  0.1711  1
  O  O14  2  0.4616  0.7500  0.5718  1
]