data_[V8H4O20]
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 [Pnma]
_cell_length_a [9.7559]
_cell_length_b [3.6945]
_cell_length_c [9.5423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [V2HO5]
_chemical_formula_sum '[V8 H4 O20]'
_cell_volume [343.9364]
_cell_formula_units_Z [4]
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  0.0617  0.7500  0.1111  1
  V  V1  4  0.1142  0.2500  0.5441  1
  H  H2  4  0.2269  0.2500  0.3068  1
  O  O3  4  0.0278  0.2500  0.7422  1
  O  O4  4  0.0557  0.2500  0.0579  1
  O  O5  4  0.0630  0.7500  0.5473  1
  O  O6  4  0.2269  0.7500  0.1722  1
  O  O7  4  0.2414  0.2500  0.4084  1
]