data_[Na2V6O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6900]
_cell_length_b [8.3716]
_cell_length_c [5.3332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaV3O6]
_chemical_formula_sum '[Na2 V6 O12]'
_cell_volume [231.5792]
_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
[
  Na  Na0  2  0.0000  0.6259  0.0000  1.0
  V  V1  2  0.0000  0.0067  0.0000  1.0
  V  V2  2  0.0000  0.1930  0.5000  1.0
  V  V3  2  0.0000  0.8193  0.5000  1.0
  O  O4  4  0.1623  0.0042  0.7373  1.0
  O  O5  4  0.2207  0.8305  0.2837  1.0
  O  O6  4  0.2266  0.1762  0.2840  1.0
]