data_[Na9Mg8Nb4P9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  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 [8.7687]
_cell_length_b [8.7717]
_cell_length_c [22.6499]
_cell_angle_alpha [89.8964]
_cell_angle_beta [89.8781]
_cell_angle_gamma [60.1190]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na9Mg8Nb4P9(SO8)9]
_chemical_formula_sum '[Na9 Mg8 Nb4 P9 S9 O72]'
_cell_volume [1510.5392]
_cell_formula_units_Z [1]
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  0.0007  0.9868  0.0046  1
  Na  Na1  1  0.3059  0.6610  0.4168  1
  Na  Na2  1  0.3066  0.0307  0.9170  1
  Na  Na3  1  0.3300  0.3428  0.8362  1
  Na  Na4  1  0.3395  0.3239  0.3365  1
  Na  Na5  1  0.6612  0.3000  0.9174  1
  Na  Na6  1  0.6669  0.6684  0.6702  1
  Na  Na7  1  0.6686  0.6651  0.1697  1
  Na  Na8  1  0.9876  0.0132  0.5037  1
  Mg  Mg9  1  0.0023  0.9846  0.8518  1
  Mg  Mg10  1  0.3331  0.3391  0.9834  1
  Mg  Mg11  1  0.3397  0.3268  0.4829  1
  Mg  Mg12  1  0.6627  0.6708  0.8157  1
  Mg  Mg13  1  0.6675  0.6628  0.3152  1
  Mg  Mg14  1  0.9871  0.0147  0.3517  1
  Mg  Mg15  1  0.9983  0.0003  0.1462  1
  Mg  Mg16  1  0.9988  0.9996  0.6461  1
  Nb  Nb17  1  0.3327  0.3357  0.1833  1
  Nb  Nb18  1  0.3351  0.3311  0.6832  1
  Nb  Nb19  1  0.6586  0.6787  0.0227  1
  Nb  Nb20  1  0.6709  0.6556  0.5230  1
  P  P21  1  0.0444  0.6273  0.0807  1
  P  P22  1  0.0496  0.3245  0.5807  1
  P  P23  1  0.3233  0.0493  0.0809  1
  P  P24  1  0.3244  0.6285  0.5804  1
  P  P25  1  0.3741  0.6645  0.9145  1
  P  P26  1  0.6284  0.0427  0.5804  1
  P  P27  1  0.6298  0.3277  0.0804  1
  P  P28  1  0.6666  0.3710  0.4141  1
  P  P29  1  0.6674  0.9599  0.9144  1
  S  S30  1  0.2909  0.9974  0.7499  1
  S  S31  1  0.2910  0.7124  0.2505  1
  S  S32  1  0.3772  0.9591  0.4154  1
  S  S33  1  0.7109  0.9965  0.2497  1
  S  S34  1  0.7117  0.2923  0.7501  1
  S  S35  1  0.9580  0.3786  0.9154  1
  S  S36  1  0.9580  0.6659  0.4154  1
  S  S37  1  0.9973  0.7096  0.7491  1
  S  S38  1  0.9977  0.2913  0.2495  1
  O  O39  1  0.0175  0.1743  0.5925  1
  O  O40  1  0.0182  0.8074  0.0927  1
  O  O41  1  0.0328  0.7808  0.8026  1
  O  O42  1  0.0330  0.1844  0.3030  1
  O  O43  1  0.1340  0.5091  0.4227  1
  O  O44  1  0.1340  0.3628  0.6377  1
  O  O45  1  0.1340  0.5033  0.1378  1
  O  O46  1  0.1363  0.3531  0.9226  1
  O  O47  1  0.1535  0.5389  0.0277  1
  O  O48  1  0.1548  0.3075  0.5270  1
  O  O49  1  0.1631  0.5261  0.7417  1
  O  O50  1  0.1634  0.3101  0.2421  1
  O  O51  1  0.1722  0.0185  0.0922  1
  O  O52  1  0.1733  0.8092  0.5923  1
  O  O53  1  0.1872  0.0313  0.8048  1
  O  O54  1  0.1874  0.7824  0.3053  1
  O  O55  1  0.1993  0.8390  0.9125  1
  O  O56  1  0.2050  0.9644  0.4116  1
  O  O57  1  0.2062  0.9780  0.6977  1
  O  O58  1  0.2066  0.8162  0.1980  1
  O  O59  1  0.3052  0.5458  0.5250  1
  O  O60  1  0.3065  0.1490  0.0249  1
  O  O61  1  0.3097  0.1632  0.7426  1
  O  O62  1  0.3103  0.5277  0.2429  1
  O  O63  1  0.3552  0.1343  0.4232  1
  O  O64  1  0.3585  0.5005  0.9235  1
  O  O65  1  0.3613  0.1362  0.1367  1
  O  O66  1  0.3634  0.5025  0.6364  1
  O  O67  1  0.4647  0.8429  0.4696  1
  O  O68  1  0.4703  0.8452  0.7550  1
  O  O69  1  0.4705  0.6861  0.2556  1
  O  O70  1  0.4730  0.6917  0.9712  1
  O  O71  1  0.4856  0.8768  0.3630  1
  O  O72  1  0.4956  0.6299  0.8622  1
  O  O73  1  0.4976  0.3630  0.4236  1
  O  O74  1  0.5000  0.1406  0.9232  1
  O  O75  1  0.5008  0.8629  0.0780  1
  O  O76  1  0.5012  0.6391  0.5764  1
  O  O77  1  0.5027  0.3632  0.1365  1
  O  O78  1  0.5030  0.1329  0.6376  1
  O  O79  1  0.5267  0.1618  0.2421  1
  O  O80  1  0.5271  0.3110  0.7426  1
  O  O81  1  0.5406  0.1536  0.5278  1
  O  O82  1  0.5468  0.3053  0.0256  1
  O  O83  1  0.6326  0.4956  0.3628  1
  O  O84  1  0.6348  0.8721  0.8624  1
  O  O85  1  0.6381  0.8582  0.5754  1
  O  O86  1  0.6394  0.5026  0.0762  1
  O  O87  1  0.6835  0.8442  0.2565  1
  O  O88  1  0.6857  0.4714  0.7555  1
  O  O89  1  0.6882  0.4747  0.4715  1
  O  O90  1  0.6919  0.8388  0.9716  1
  O  O91  1  0.7818  0.1886  0.8049  1
  O  O92  1  0.7830  0.0312  0.3031  1
  O  O93  1  0.8080  0.0176  0.5928  1
  O  O94  1  0.8088  0.1730  0.0925  1
  O  O95  1  0.8138  0.9749  0.1966  1
  O  O96  1  0.8156  0.2075  0.6978  1
  O  O97  1  0.8292  0.9832  0.9124  1
  O  O98  1  0.8347  0.1938  0.4132  1
  O  O99  1  0.8446  0.4604  0.9695  1
  O  O100  1  0.8454  0.6820  0.7558  1
  O  O101  1  0.8456  0.6923  0.4700  1
  O  O102  1  0.8463  0.4711  0.2559  1
  O  O103  1  0.8601  0.6356  0.0765  1
  O  O104  1  0.8628  0.5023  0.5765  1
  O  O105  1  0.8734  0.6430  0.3634  1
  O  O106  1  0.8770  0.4849  0.8629  1
  O  O107  1  0.9723  0.2014  0.9109  1
  O  O108  1  0.9757  0.8135  0.6964  1
  O  O109  1  0.9758  0.2102  0.1966  1
  O  O110  1  0.9792  0.8235  0.4116  1
]