data_[Na2V4O8]
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 [P-1]
_cell_length_a [5.0848]
_cell_length_b [6.0768]
_cell_length_c [6.6609]
_cell_angle_alpha [62.8977]
_cell_angle_beta [77.7392]
_cell_angle_gamma [89.6387]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaV2O4]
_chemical_formula_sum '[Na2 V4 O8]'
_cell_volume [178.0696]
_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  0.2526  0.3024  0.0005  1.0
  V  V1  2  0.2475  0.3748  0.4995  1.0
  V  V2  2  0.2530  0.8641  0.5049  1.0
  O  O3  2  0.0154  0.0331  0.6744  1.0
  O  O4  2  0.0379  0.5384  0.6887  1.0
  O  O5  2  0.4636  0.7166  0.3206  1.0
  O  O6  2  0.4815  0.2084  0.3174  1.0
]