data_[Na9V3H18O21]
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 [R3]
_cell_length_a [8.5918]
_cell_length_b [8.5918]
_cell_length_c [7.8559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na3VH6O7]
_chemical_formula_sum '[Na9 V3 H18 O21]'
_cell_volume [502.2265]
_cell_formula_units_Z [3]
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  9  0.1209  0.4374  0.2582  1.0
  V  V1  3  0.0000  0.0000  0.0025  1.0
  H  H2  9  0.0075  0.6567  0.7374  1.0
  H  H3  9  0.1651  0.7023  0.9507  1.0
  O  O4  9  0.0213  0.7900  0.3939  1.0
  O  O5  9  0.2054  0.4482  0.7532  1.0
  O  O6  3  0.0000  0.0000  0.7825  1.0
]