data_[Na12V8P12O48]
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 [P2_1/c]
_cell_length_a [8.8717]
_cell_length_b [9.0131]
_cell_length_c [15.4405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3V2(PO4)3]
_chemical_formula_sum '[Na12 V8 P12 O48]'
_cell_volume [1015.3667]
_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  0.0457  0.2049  0.8367  1
  Na  Na1  4  0.3276  0.1993  0.7352  1
  Na  Na2  4  0.3871  0.5651  0.8098  1
  V  V3  4  0.1368  0.5373  0.8945  1
  V  V4  4  0.3544  0.5215  0.6015  1
  P  P5  4  0.0319  0.1035  0.1471  1
  P  P6  4  0.2534  0.6198  0.1455  1
  P  P7  4  0.4691  0.2497  0.9966  1
  O  O8  4  0.0175  0.2313  0.6710  1
  O  O9  4  0.0880  0.0081  0.2454  1
  O  O10  4  0.0942  0.5884  0.1578  1
  O  O11  4  0.1426  0.5373  0.4481  1
  O  O12  4  0.1940  0.5715  0.0356  1
  O  O13  4  0.1966  0.0948  0.1361  1
  O  O14  4  0.2941  0.1545  0.4377  1
  O  O15  4  0.3032  0.7110  0.6644  1
  O  O16  4  0.3608  0.6515  0.9342  1
  O  O17  4  0.4250  0.5272  0.2289  1
  O  O18  4  0.4571  0.1489  0.0741  1
  O  O19  4  0.4797  0.1620  0.9135  1
]