data_[Na3Nb6Al6P15S3O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.5676]
_cell_length_b [8.5833]
_cell_length_c [22.0911]
_cell_angle_alpha [89.8311]
_cell_angle_beta [89.9788]
_cell_angle_gamma [60.0893]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNb2Al2P5SO24]
_chemical_formula_sum '[Na3 Nb6 Al6 P15 S3 O72]'
_cell_volume [1408.1446]
_cell_formula_units_Z [3]
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  1  0.3308  0.3324  0.3403  1
  Na  Na1  1  0.3332  0.3336  0.8326  1
  Na  Na2  1  0.9993  1.0000  0.0054  1
  Nb  Nb3  1  0.0072  0.9950  0.3615  1
  Nb  Nb4  1  0.3279  0.3338  0.1901  1
  Nb  Nb5  1  0.6661  0.6658  0.8061  1
  Nb  Nb6  1  0.6664  0.6683  0.0283  1
  Nb  Nb7  1  0.6679  0.6612  0.5264  1
  Nb  Nb8  1  0.9998  0.0012  0.8533  1
  Al  Al9  1  0.0073  0.9898  0.1461  1
  Al  Al10  1  0.3340  0.3324  0.9805  1
  Al  Al11  1  0.3373  0.3358  0.6869  1
  Al  Al12  1  0.3418  0.3297  0.4794  1
  Al  Al13  1  0.6661  0.6757  0.3130  1
  Al  Al14  1  0.9930  0.0065  0.6441  1
  P  P15  1  0.0130  0.2804  0.7436  1
  P  P16  1  0.0564  0.3146  0.0812  1
  P  P17  1  0.2772  0.7116  0.7432  1
  P  P18  1  0.2924  0.9829  0.2489  1
  P  P19  1  0.3171  0.6239  0.0811  1
  P  P20  1  0.3821  0.9626  0.9178  1
  P  P21  1  0.3964  0.6474  0.4152  1
  P  P22  1  0.6178  0.3168  0.5847  1
  P  P23  1  0.6265  0.0591  0.0821  1
  P  P24  1  0.6507  0.9580  0.4161  1
  P  P25  1  0.6560  0.3818  0.9183  1
  P  P26  1  0.7086  0.0111  0.7441  1
  P  P27  1  0.9581  0.3928  0.4153  1
  P  P28  1  0.9629  0.6554  0.9178  1
  P  P29  1  0.9847  0.7242  0.2491  1
  S  S30  1  0.0610  0.6182  0.5845  1
  S  S31  1  0.3220  0.0595  0.5845  1
  S  S32  1  0.7208  0.2918  0.2493  1
  O  O33  1  0.0269  0.8052  0.3058  1
  O  O34  1  0.0301  0.1552  0.0923  1
  O  O35  1  0.0376  0.7985  0.5920  1
  O  O36  1  0.0406  0.1673  0.8036  1
  O  O37  1  0.1347  0.5037  0.6384  1
  O  O38  1  0.1348  0.3552  0.1391  1
  O  O39  1  0.1451  0.3656  0.4272  1
  O  O40  1  0.1468  0.4909  0.9250  1
  O  O41  1  0.1565  0.8106  0.0901  1
  O  O42  1  0.1609  0.5318  0.2437  1
  O  O43  1  0.1648  0.7988  0.8031  1
  O  O44  1  0.1653  0.5357  0.5295  1
  O  O45  1  0.1667  0.0324  0.5921  1
  O  O46  1  0.1689  0.0298  0.3059  1
  O  O47  1  0.1724  0.2903  0.0263  1
  O  O48  1  0.1750  0.3059  0.7382  1
  O  O49  1  0.1910  0.8345  0.6900  1
  O  O50  1  0.1937  0.9779  0.9105  1
  O  O51  1  0.1975  0.9684  0.1930  1
  O  O52  1  0.2056  0.8224  0.4093  1
  O  O53  1  0.2936  0.5333  0.0259  1
  O  O54  1  0.2952  0.1667  0.5296  1
  O  O55  1  0.3004  0.5249  0.7398  1
  O  O56  1  0.3125  0.1572  0.2434  1
  O  O57  1  0.3551  0.5070  0.1389  1
  O  O58  1  0.3581  0.1365  0.6384  1
  O  O59  1  0.3623  0.1467  0.9249  1
  O  O60  1  0.3661  0.4894  0.4254  1
  O  O61  1  0.4651  0.6953  0.7562  1
  O  O62  1  0.4667  0.8413  0.9736  1
  O  O63  1  0.4731  0.6882  0.4731  1
  O  O64  1  0.4750  0.8217  0.2603  1
  O  O65  1  0.4881  0.8753  0.5774  1
  O  O66  1  0.4885  0.1441  0.4259  1
  O  O67  1  0.4906  0.6404  0.0750  1
  O  O68  1  0.4913  0.3620  0.9250  1
  O  O69  1  0.4948  0.8708  0.8606  1
  O  O70  1  0.4971  0.3618  0.6402  1
  O  O71  1  0.5072  0.1380  0.1394  1
  O  O72  1  0.5094  0.6237  0.3597  1
  O  O73  1  0.5209  0.1726  0.7399  1
  O  O74  1  0.5299  0.2956  0.5276  1
  O  O75  1  0.5346  0.3109  0.2445  1
  O  O76  1  0.5364  0.1720  0.0263  1
  O  O77  1  0.6239  0.8715  0.3602  1
  O  O78  1  0.6346  0.4947  0.8607  1
  O  O79  1  0.6390  0.4909  0.5751  1
  O  O80  1  0.6427  0.8691  0.0753  1
  O  O81  1  0.6914  0.8395  0.4736  1
  O  O82  1  0.6928  0.4669  0.9737  1
  O  O83  1  0.6932  0.8396  0.7573  1
  O  O84  1  0.6996  0.4690  0.2579  1
  O  O85  1  0.7947  0.1768  0.3040  1
  O  O86  1  0.7951  0.0388  0.8037  1
  O  O87  1  0.8077  0.1581  0.5931  1
  O  O88  1  0.8127  0.0338  0.0923  1
  O  O89  1  0.8221  0.9777  0.4076  1
  O  O90  1  0.8252  0.2059  0.1949  1
  O  O91  1  0.8264  0.6973  0.2604  1
  O  O92  1  0.8286  0.1939  0.9106  1
  O  O93  1  0.8328  0.9713  0.6912  1
  O  O94  1  0.8404  0.4704  0.4734  1
  O  O95  1  0.8414  0.6922  0.9735  1
  O  O96  1  0.8414  0.4671  0.7569  1
  O  O97  1  0.8683  0.4890  0.0751  1
  O  O98  1  0.8685  0.5074  0.3599  1
  O  O99  1  0.8705  0.6345  0.8606  1
  O  O100  1  0.8746  0.6395  0.5778  1
  O  O101  1  0.9647  0.8353  0.1930  1
  O  O102  1  0.9730  0.2038  0.4073  1
  O  O103  1  0.9746  0.1952  0.6907  1
  O  O104  1  0.9785  0.8281  0.9103  1
]