data_[Na4V4O12]
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 [P2_1/c]
_cell_length_a [7.2165]
_cell_length_b [5.3654]
_cell_length_c [10.7494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.1711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaVO3]
_chemical_formula_sum '[Na4 V4 O12]'
_cell_volume [322.6717]
_cell_formula_units_Z [4]
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  0.3552  0.2030  0.7073  1.0
  V  V1  4  0.1785  0.6956  0.8463  1.0
  O  O2  4  0.0699  0.0923  0.2246  1.0
  O  O3  4  0.3112  0.6243  0.0377  1.0
  O  O4  4  0.3691  0.6629  0.3306  1.0
]