data_[V4H6O12]
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/m]
_cell_length_a [4.6296]
_cell_length_b [9.0070]
_cell_length_c [4.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2(HO2)3]
_chemical_formula_sum '[V4 H6 O12]'
_cell_volume [179.5039]
_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  0.0000  0.1788  0.0000  1
  H  H1  4  0.0000  0.4375  0.5000  1
  H  H2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.2488  0.3229  0.2257  1
  O  O4  4  0.2250  0.0000  0.3497  1
]