data_[Na6V10H48O52]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [10.7149]
_cell_length_b [11.5349]
_cell_length_c [11.9301]
_cell_angle_alpha [109.1667]
_cell_angle_beta [103.5254]
_cell_angle_gamma [111.8419]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na3V5(H12O13)2]
_chemical_formula_sum '[Na6 V10 H48 O52]'
_cell_volume [1181.4031]
_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  0.1170  0.5029  0.6291  1
  Na  Na1  2  0.1934  0.9019  0.5927  1
  Na  Na2  2  0.3666  0.5212  0.8926  1
  V  V3  2  0.0272  0.7724  0.0036  1
  V  V4  2  0.1110  0.0252  0.9256  1
  V  V5  2  0.1337  0.9933  0.2943  1
  V  V6  2  0.2091  0.2446  0.2210  1
  V  V7  2  0.3431  0.0416  0.1502  1
  H  H8  2  0.0618  0.3782  0.8224  1
  H  H9  2  0.0704  0.5245  0.8701  1
  H  H10  2  0.1034  0.2407  0.4552  1
  H  H11  2  0.1093  0.2482  0.5901  1
  H  H12  2  0.1241  0.7745  0.7693  1
  H  H13  2  0.1592  0.4810  0.3829  1
  H  H14  2  0.1652  0.2207  0.7790  1
  H  H15  2  0.2056  0.6052  0.1872  1
  H  H16  2  0.2076  0.6343  0.4766  1
  H  H17  2  0.2577  0.7587  0.2078  1
  H  H18  2  0.2856  0.8185  0.7797  1
  H  H19  2  0.2883  0.2286  0.7312  1
  H  H20  2  0.3150  0.3789  0.0582  1
  H  H21  2  0.3307  0.7835  0.4181  1
  H  H22  2  0.3622  0.7843  0.0181  1
  H  H23  2  0.3762  0.2856  0.4996  1
  H  H24  2  0.3819  0.4718  0.6553  1
  H  H25  2  0.3984  0.5397  0.1494  1
  H  H26  2  0.4394  0.1791  0.6703  1
  H  H27  2  0.4411  0.8596  0.5660  1
  H  H28  2  0.4535  0.6350  0.7268  1
  H  H29  2  0.4585  0.1727  0.8032  1
  H  H30  2  0.4598  0.6037  0.3984  1
  H  H31  2  0.4815  0.1678  0.9865  1
  O  O32  2  0.0098  0.8215  0.8536  1
  O  O33  2  0.0398  0.3996  0.0755  1
  O  O34  2  0.0408  0.8022  0.1679  1
  O  O35  2  0.0569  0.2585  0.5167  1
  O  O36  2  0.0735  0.0320  0.7795  1
  O  O37  2  0.1011  0.0094  0.0947  1
  O  O38  2  0.1137  0.4714  0.8273  1
  O  O39  2  0.1285  0.5363  0.4405  1
  O  O40  2  0.1413  0.9819  0.4283  1
  O  O41  2  0.1612  0.2181  0.0350  1
  O  O42  2  0.1819  0.7557  0.7192  1
  O  O43  2  0.1927  0.1873  0.3463  1
  O  O44  2  0.2259  0.8435  0.0468  1
  O  O45  2  0.2282  0.2756  0.7472  1
  O  O46  2  0.2729  0.4162  0.2998  1
  O  O47  2  0.2868  0.7023  0.2423  1
  O  O48  2  0.2881  0.0490  0.9791  1
  O  O49  2  0.3148  0.0232  0.2925  1
  O  O50  2  0.3371  0.8110  0.5082  1
  O  O51  2  0.3630  0.5476  0.7010  1
  O  O52  2  0.3720  0.2271  0.2226  1
  O  O53  2  0.3850  0.1364  0.7144  1
  O  O54  2  0.3941  0.4693  0.0737  1
  O  O55  2  0.4422  0.3349  0.5926  1
  O  O56  2  0.4432  0.7616  0.0248  1
  O  O57  2  0.4893  0.9315  0.8243  1
]