data_[V6H10O16]
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 [Cm]
_cell_length_a [19.3923]
_cell_length_b [3.1058]
_cell_length_c [4.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V3H5O8]
_chemical_formula_sum '[V6 H10 O16]'
_cell_volume [280.7549]
_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  0.0013  0.0000  0.5185  1.0
  V  V1  2  0.1795  0.0000  0.3772  1.0
  V  V2  2  0.3193  0.5000  0.6223  1.0
  H  H3  2  0.0832  0.5000  0.9026  1.0
  H  H4  2  0.1886  0.5000  0.9278  1.0
  H  H5  2  0.3116  0.0000  0.0743  1.0
  H  H6  2  0.4132  0.0000  0.0942  1.0
  H  H7  2  0.4953  0.0000  0.0427  1.0
  O  O8  2  0.0303  0.5000  0.7992  1.0
  O  O9  2  0.0929  0.0000  0.4226  1.0
  O  O10  2  0.1627  0.5000  0.0876  1.0
  O  O11  2  0.2170  0.5000  0.6428  1.0
  O  O12  2  0.2827  0.0000  0.3596  1.0
  O  O13  2  0.3391  0.0000  0.9199  1.0
  O  O14  2  0.4061  0.5000  0.5806  1.0
  O  O15  2  0.4679  0.0000  0.2057  1.0
]