data_[Na6V2P2C2O14]
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
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.3881]
_cell_length_b [6.7720]
_cell_length_c [8.9213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Na3VPCO7]
_chemical_formula_sum '[Na6 V2 P2 C2 O14]'
_cell_volume [325.4139]
_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  0.0019  0.0144  0.4981  1
  Na  Na1  2  0.0550  0.2704  0.1619  1
  Na  Na2  2  0.4993  0.0127  0.0005  1
  V  V3  2  0.4522  0.7627  0.2802  1
  P  P4  2  0.4849  0.7631  0.6564  1
  C  C5  2  0.0017  0.7623  0.1633  1
  O  O6  2  0.0531  0.7625  0.3051  1
  O  O7  2  0.1874  0.7621  0.0699  1
  O  O8  2  0.1992  0.7643  0.6411  1
  O  O9  2  0.2266  0.2620  0.8880  1
  O  O10  2  0.3879  0.2626  0.4979  1
  O  O11  2  0.4205  0.4460  0.2496  1
  O  O12  2  0.4214  0.0800  0.2497  1
]