data_[V2H1O4]
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 [Pm]
_cell_length_a [4.5705]
_cell_length_b [3.0190]
_cell_length_c [4.8355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [V2HO4]
_chemical_formula_sum '[V2 H1 O4]'
_cell_volume [66.6367]
_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  0.0137  0.0000  0.9997  1.0
  V  V1  1  0.4850  0.5000  0.5300  1.0
  H  H2  1  0.5785  0.5000  0.0423  1.0
  O  O3  1  0.2488  0.5000  0.8245  1.0
  O  O4  1  0.2922  0.0000  0.3279  1.0
  O  O5  1  0.7254  0.0000  0.6753  1.0
  O  O6  1  0.7587  0.5000  0.1675  1.0
]