data_[V12H8O26]
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 [C2]
_cell_length_a [12.2667]
_cell_length_b [3.8334]
_cell_length_c [10.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [V6H4O13]
_chemical_formula_sum '[V12 H8 O26]'
_cell_volume [495.2468]
_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  4  0.0870  0.5019  0.6154  1
  V  V1  4  0.1507  0.5030  0.9997  1
  V  V2  4  0.2186  0.4964  0.3828  1
  H  H3  4  0.0654  0.2465  0.8063  1
  H  H4  4  0.1092  0.7194  0.1972  1
  O  O5  4  0.0640  0.5030  0.4204  1
  O  O6  4  0.1013  0.4735  0.8032  1
  O  O7  4  0.1172  0.0048  0.6234  1
  O  O8  4  0.1652  0.5381  0.1978  1
  O  O9  4  0.1855  0.0099  0.9988  1
  O  O10  4  0.2493  0.9938  0.4134  1
  O  O11  2  0.0000  0.5118  0.0000  1
]