data_[Na4V2O8]
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 [Amm2]
_cell_length_a [2.9960]
_cell_length_b [9.6459]
_cell_length_c [6.9080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na2VO4]
_chemical_formula_sum '[Na4 V2 O8]'
_cell_volume [199.6380]
_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  4  0.5000  0.2410  0.7347  1
  V  V1  2  0.0000  0.0000  0.0294  1
  O  O2  4  0.0000  0.1849  0.9854  1
  O  O3  2  0.5000  0.0000  0.2007  1
  O  O4  2  0.5000  0.0000  0.8343  1
]