data_[Na2V2P4O14]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7110]
_cell_length_b [8.4493]
_cell_length_c [4.5646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaVP2O7]
_chemical_formula_sum '[Na2 V2 P4 O14]'
_cell_volume [253.9393]
_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  0.2479  0.5000  1.0
  V  V1  2  0.0000  0.6309  0.5000  1.0
  P  P2  4  0.2071  0.9631  0.9158  1.0
  O  O3  4  0.1395  0.4537  0.7900  1.0
  O  O4  4  0.1629  0.8027  0.7642  1.0
  O  O5  4  0.2381  0.5903  0.2967  1.0
  O  O6  2  0.0000  0.0350  0.0000  1.0
]