data_[V3H5O8]
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 [P1]
_cell_length_a [3.0702]
_cell_length_b [4.9296]
_cell_length_c [10.1393]
_cell_angle_alpha [77.2326]
_cell_angle_beta [81.5530]
_cell_angle_gamma [89.6830]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V3H5O8]
_chemical_formula_sum '[V3 H5 O8]'
_cell_volume [147.9835]
_cell_formula_units_Z [1]
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  1  0.1776  0.3590  0.6404  1.0
  V  V1  1  0.8095  0.6457  0.3714  1.0
  V  V2  1  0.9694  0.5208  0.9806  1.0
  H  H3  1  0.2703  0.5439  0.1813  1.0
  H  H4  1  0.3096  0.0797  0.3766  1.0
  H  H5  1  0.4898  0.0707  0.0120  1.0
  H  H6  1  0.6117  0.9696  0.7769  1.0
  H  H7  1  0.6885  0.8185  0.6132  1.0
  O  O8  1  0.0907  0.4273  0.8046  1.0
  O  O9  1  0.2759  0.3612  0.4483  1.0
  O  O10  1  0.3258  0.9096  0.3366  1.0
  O  O11  1  0.4662  0.2518  0.0392  1.0
  O  O12  1  0.5526  0.7642  0.9385  1.0
  O  O13  1  0.6591  0.0776  0.6790  1.0
  O  O14  1  0.7044  0.6390  0.5789  1.0
  O  O15  1  0.9566  0.5764  0.1758  1.0
]