data_[Na3V3H6O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [9.2001]
_cell_length_b [9.5343]
_cell_length_c [11.3672]
_cell_angle_alpha [91.6016]
_cell_angle_beta [99.1787]
_cell_angle_gamma [116.2443]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3V3H6O7]
_chemical_formula_sum '[Na3 V3 H6 O7]'
_cell_volume [877.3756]
_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
[
  Na  Na0  1  0.0169  0.1061  0.4498  1
  Na  Na1  1  0.3091  0.4780  0.1307  1
  Na  Na2  1  0.4847  0.1218  0.0923  1
  V  V3  1  0.1416  0.1611  0.9539  1
  V  V4  1  0.1431  0.0547  0.1979  1
  V  V5  1  0.8081  0.9905  0.0633  1
  H  H6  1  0.0043  0.3797  0.2707  1
  H  H7  1  0.2253  0.3304  0.3279  1
  H  H8  1  0.2647  0.5072  0.3873  1
  H  H9  1  0.7772  0.2240  0.5081  1
  H  H10  1  0.8231  0.2425  0.2104  1
  H  H11  1  0.8663  0.2790  0.3951  1
  O  O12  1  0.0108  0.9849  0.0381  1
  O  O13  1  0.2049  0.1750  0.3369  1
  O  O14  1  0.2309  0.4436  0.3104  1
  O  O15  1  0.2346  0.3617  0.9492  1
  O  O16  1  0.6991  0.0782  0.1231  1
  O  O17  1  0.8701  0.2305  0.4746  1
  O  O18  1  0.8852  0.3408  0.2702  1
]