data_[Na12P8H76O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1736]
_cell_length_b [31.7728]
_cell_length_c [8.6074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3P2H19O16]
_chemical_formula_sum '[Na12 P8 H76 O64]'
_cell_volume [1545.0782]
_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  0.1971  0.5173  0.9072  1
  Na  Na1  4  0.2372  0.2415  0.3796  1
  Na  Na2  4  0.4891  0.6663  0.6673  1
  P  P3  4  0.0160  0.6088  0.4014  1
  P  P4  4  0.2223  0.6639  0.2163  1
  H  H5  4  0.0044  0.1795  0.6397  1
  H  H6  4  0.0457  0.1729  0.8283  1
  H  H7  4  0.0831  0.2014  0.0789  1
  H  H8  4  0.0947  0.6015  0.7304  1
  H  H9  4  0.1149  0.6072  0.9150  1
  H  H10  4  0.1874  0.5378  0.2636  1
  H  H11  4  0.2236  0.5234  0.5660  1
  H  H12  4  0.2299  0.0252  0.1125  1
  H  H13  4  0.2533  0.0872  0.7613  1
  H  H14  4  0.2690  0.7315  0.4408  1
  H  H15  4  0.2753  0.7446  0.1079  1
  H  H16  4  0.2917  0.1557  0.4672  1
  H  H17  4  0.3510  0.1954  0.1255  1
  H  H18  4  0.3657  0.5049  0.2470  1
  H  H19  4  0.3702  0.1188  0.1558  1
  H  H20  4  0.3753  0.0681  0.3948  1
  H  H21  4  0.4138  0.0652  0.5885  1
  H  H22  4  0.4463  0.6671  0.9975  1
  H  H23  4  0.4687  0.5808  0.6175  1
  O  O24  4  0.0170  0.6329  0.2357  1
  O  O25  4  0.0589  0.5869  0.8185  1
  O  O26  4  0.0859  0.6388  0.5505  1
  O  O27  4  0.1078  0.1886  0.7564  1
  O  O28  4  0.1455  0.7089  0.2286  1
  O  O29  4  0.1630  0.5689  0.4308  1
  O  O30  4  0.2012  0.5150  0.1896  1
  O  O31  4  0.2081  0.6523  0.0398  1
  O  O32  4  0.2299  0.2174  0.1138  1
  O  O33  4  0.2559  0.0956  0.1648  1
  O  O34  4  0.2889  0.5025  0.6590  1
  O  O35  4  0.3618  0.7358  0.5641  1
  O  O36  4  0.4076  0.0485  0.4888  1
  O  O37  4  0.4186  0.1751  0.5322  1
  O  O38  4  0.4187  0.0919  0.7729  1
  O  O39  4  0.4608  0.6526  0.3614  1
]