data_[Na30Sc6Nb18Si33S3O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0676]
_cell_length_b [15.6613]
_cell_length_c [22.8555]
_cell_angle_alpha [90.1103]
_cell_angle_beta [90.0339]
_cell_angle_gamma [90.1226]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Sc2Nb6Si11SO48]
_chemical_formula_sum '[Na30 Sc6 Nb18 Si33 S3 O144]'
_cell_volume [3245.7059]
_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  0.0041  0.6619  0.6648  1
  Na  Na1  1  0.0096  0.6648  0.1721  1
  Na  Na2  1  0.1312  0.8369  0.0860  1
  Na  Na3  1  0.1764  0.4850  0.4160  1
  Na  Na4  1  0.1800  0.8186  0.7487  1
  Na  Na5  1  0.1827  0.8469  0.4159  1
  Na  Na6  1  0.1896  0.5150  0.0856  1
  Na  Na7  1  0.1923  0.1823  0.7501  1
  Na  Na8  1  0.3111  0.0176  0.5843  1
  Na  Na9  1  0.3182  0.3481  0.9154  1
  Na  Na10  1  0.3224  0.9862  0.9153  1
  Na  Na11  1  0.3239  0.3172  0.2511  1
  Na  Na12  1  0.4965  0.8325  0.3335  1
  Na  Na13  1  0.5025  0.5015  1.0000  1
  Na  Na14  1  0.5028  0.1695  0.6687  1
  Na  Na15  1  0.5030  0.5031  0.5030  1
  Na  Na16  1  0.5041  0.1643  0.1703  1
  Na  Na17  1  0.5054  0.8348  0.8335  1
  Na  Na18  1  0.6305  0.3350  0.0850  1
  Na  Na19  1  0.6768  0.9862  0.4158  1
  Na  Na20  1  0.6791  0.6483  0.0839  1
  Na  Na21  1  0.6808  0.6819  0.7494  1
  Na  Na22  1  0.6836  0.3464  0.4162  1
  Na  Na23  1  0.6899  0.0178  0.0852  1
  Na  Na24  1  0.8245  0.8180  0.2512  1
  Na  Na25  1  0.8696  0.8354  0.5844  1
  Na  Na26  1  0.9922  0.3358  0.8335  1
  Na  Na27  1  0.9965  0.3322  0.3335  1
  Na  Na28  1  0.9977  0.0044  0.0031  1
  Na  Na29  1  0.9998  0.0063  0.5035  1
  Sc  Sc30  1  0.0035  0.0003  0.6458  1
  Sc  Sc31  1  0.0113  0.6646  0.3156  1
  Sc  Sc32  1  0.4921  0.4955  0.1482  1
  Sc  Sc33  1  0.4996  0.1680  0.8157  1
  Sc  Sc34  1  0.5114  0.1642  0.3156  1
  Sc  Sc35  1  0.9975  0.0002  0.1473  1
  Nb  Nb36  1  0.0001  0.6625  0.8131  1
  Nb  Nb37  1  0.0005  0.3307  0.4818  1
  Nb  Nb38  1  0.0011  0.6623  0.5204  1
  Nb  Nb39  1  0.0034  0.3399  0.6841  1
  Nb  Nb40  1  0.4910  0.8406  0.1865  1
  Nb  Nb41  1  0.4978  0.1671  0.0189  1
  Nb  Nb42  1  0.4983  0.4941  0.3548  1
  Nb  Nb43  1  0.4984  0.4977  0.6455  1
  Nb  Nb44  1  0.4999  0.8371  0.6864  1
  Nb  Nb45  1  0.5015  0.1696  0.5210  1
  Nb  Nb46  1  0.5027  0.8305  0.4809  1
  Nb  Nb47  1  0.5040  0.4997  0.8535  1
  Nb  Nb48  1  0.5055  0.8316  0.9787  1
  Nb  Nb49  1  0.9935  0.3385  0.1859  1
  Nb  Nb50  1  0.9937  0.3311  0.9793  1
  Nb  Nb51  1  0.9974  0.9938  0.8562  1
  Nb  Nb52  1  0.9990  0.9948  0.3548  1
  Nb  Nb53  1  0.9996  0.6666  0.0181  1
  Si  Si54  1  0.1444  0.8528  0.2482  1
  Si  Si55  1  0.1450  0.1882  0.5843  1
  Si  Si56  1  0.1460  0.8093  0.9160  1
  Si  Si57  1  0.1466  0.5207  0.9167  1
  Si  Si58  1  0.1476  0.4793  0.5818  1
  Si  Si59  1  0.2050  0.5027  0.2486  1
  Si  Si60  1  0.2066  0.1669  0.9154  1
  Si  Si61  1  0.2102  0.8310  0.5829  1
  Si  Si62  1  0.2863  0.3308  0.0830  1
  Si  Si63  1  0.2930  0.6666  0.4164  1
  Si  Si64  1  0.2933  0.0023  0.7494  1
  Si  Si65  1  0.3496  0.3073  0.4151  1
  Si  Si66  1  0.3520  0.9806  0.0808  1
  Si  Si67  1  0.3541  0.0236  0.4168  1
  Si  Si68  1  0.3543  0.6424  0.7496  1
  Si  Si69  1  0.3559  0.3542  0.7499  1
  Si  Si70  1  0.3562  0.6888  0.0833  1
  Si  Si71  1  0.6436  0.6862  0.5843  1
  Si  Si72  1  0.6464  0.0231  0.9159  1
  Si  Si73  1  0.6466  0.3520  0.2486  1
  Si  Si74  1  0.6471  0.3113  0.9155  1
  Si  Si75  1  0.6473  0.9809  0.5824  1
  Si  Si76  1  0.7069  0.0031  0.2483  1
  Si  Si77  1  0.7096  0.6658  0.9158  1
  Si  Si78  1  0.7113  0.3334  0.5839  1
  Si  Si79  1  0.7882  0.4965  0.7492  1
  Si  Si80  1  0.7886  0.8329  0.0845  1
  Si  Si81  1  0.7926  0.1668  0.4168  1
  Si  Si82  1  0.8522  0.8069  0.4158  1
  Si  Si83  1  0.8529  0.8556  0.7487  1
  Si  Si84  1  0.8532  0.5225  0.4156  1
  Si  Si85  1  0.8534  0.4795  0.0821  1
  Si  Si86  1  0.8582  0.1870  0.0835  1
  S  S87  1  0.1437  0.1443  0.2498  1
  S  S88  1  0.6444  0.6451  0.2496  1
  S  S89  1  0.8537  0.1446  0.7504  1
  O  O90  1  0.0622  0.7622  0.2553  1
  O  O91  1  0.0682  0.5725  0.5763  1
  O  O92  1  0.0684  0.5698  0.8610  1
  O  O93  1  0.0686  0.4331  0.6391  1
  O  O94  1  0.0696  0.7665  0.9745  1
  O  O95  1  0.0709  0.2381  0.5278  1
  O  O96  1  0.0735  0.8974  0.1915  1
  O  O97  1  0.0737  0.9060  0.9096  1
  O  O98  1  0.0747  0.4262  0.9237  1
  O  O99  1  0.0759  0.2320  0.2450  1
  O  O100  1  0.0761  0.1042  0.3029  1
  O  O101  1  0.0761  0.0938  0.5877  1
  O  O102  1  0.0979  0.5828  0.2547  1
  O  O103  1  0.1023  0.7476  0.5765  1
  O  O104  1  0.1066  0.0796  0.9087  1
  O  O105  1  0.1075  0.2528  0.9261  1
  O  O106  1  0.1098  0.9163  0.5870  1
  O  O107  1  0.1130  0.7513  0.8583  1
  O  O108  1  0.1130  0.2497  0.6419  1
  O  O109  1  0.1131  0.5823  0.9745  1
  O  O110  1  0.1140  0.4091  0.2438  1
  O  O111  1  0.1146  0.4196  0.5249  1
  O  O112  1  0.1151  0.9161  0.3076  1
  O  O113  1  0.1183  0.0933  0.1977  1
  O  O114  1  0.1727  0.3432  0.7424  1
  O  O115  1  0.1736  0.0089  0.4093  1
  O  O116  1  0.1746  0.3287  0.4252  1
  O  O117  1  0.1750  0.6814  0.0759  1
  O  O118  1  0.1754  0.6580  0.7574  1
  O  O119  1  0.1773  0.9838  0.0880  1
  O  O120  1  0.1805  0.9837  0.8073  1
  O  O121  1  0.1811  0.3489  0.0258  1
  O  O122  1  0.1818  0.3176  0.1417  1
  O  O123  1  0.1828  0.6486  0.4735  1
  O  O124  1  0.1896  0.0163  0.6927  1
  O  O125  1  0.1928  0.6894  0.3613  1
  O  O126  1  0.3039  0.1875  0.8587  1
  O  O127  1  0.3054  0.1571  0.2563  1
  O  O128  1  0.3063  0.5137  0.1912  1
  O  O129  1  0.3172  0.8177  0.6411  1
  O  O130  1  0.3179  0.1489  0.9726  1
  O  O131  1  0.3186  0.8477  0.5263  1
  O  O132  1  0.3194  0.4845  0.3066  1
  O  O133  1  0.3226  0.8252  0.9235  1
  O  O134  1  0.3243  0.4878  0.5907  1
  O  O135  1  0.3243  0.5101  0.9097  1
  O  O136  1  0.3247  0.1792  0.5756  1
  O  O137  1  0.3278  0.8450  0.2431  1
  O  O138  1  0.3751  0.2564  0.3558  1
  O  O139  1  0.3843  0.7534  0.1395  1
  O  O140  1  0.3844  0.0816  0.4762  1
  O  O141  1  0.3847  0.4164  0.8079  1
  O  O142  1  0.3871  0.5831  0.6928  1
  O  O143  1  0.3874  0.9167  0.0254  1
  O  O144  1  0.3878  0.9110  0.7439  1
  O  O145  1  0.3912  0.4155  0.0867  1
  O  O146  1  0.3936  0.5799  0.4086  1
  O  O147  1  0.3939  0.7525  0.4263  1
  O  O148  1  0.3941  0.0859  0.7558  1
  O  O149  1  0.3966  0.2479  0.0759  1
  O  O150  1  0.4237  0.2598  0.7533  1
  O  O151  1  0.4248  0.9262  0.4263  1
  O  O152  1  0.4286  0.4055  0.6939  1
  O  O153  1  0.4295  0.4059  0.4102  1
  O  O154  1  0.4297  0.7381  0.7431  1
  O  O155  1  0.4316  0.5959  0.0874  1
  O  O156  1  0.4321  0.7371  0.0270  1
  O  O157  1  0.4357  0.5989  0.8066  1
  O  O158  1  0.4362  0.2669  0.4723  1
  O  O159  1  0.4366  0.9332  0.1383  1
  O  O160  1  0.4372  0.0611  0.3610  1
  O  O161  1  0.4414  0.0710  0.0764  1
  O  O162  1  0.5597  0.0712  0.5767  1
  O  O163  1  0.5616  0.0610  0.8608  1
  O  O164  1  0.5620  0.2623  0.2554  1
  O  O165  1  0.5640  0.9316  0.6387  1
  O  O166  1  0.5643  0.4055  0.9108  1
  O  O167  1  0.5673  0.2679  0.9748  1
  O  O168  1  0.5687  0.5930  0.5906  1
  O  O169  1  0.5692  0.9281  0.9269  1
  O  O170  1  0.5700  0.7356  0.5277  1
  O  O171  1  0.5750  0.3973  0.1919  1
  O  O172  1  0.5762  0.7322  0.2449  1
  O  O173  1  0.5762  0.6037  0.3020  1
  O  O174  1  0.5977  0.0824  0.2548  1
  O  O175  1  0.6064  0.5815  0.9093  1
  O  O176  1  0.6075  0.4177  0.5916  1
  O  O177  1  0.6079  0.7511  0.9244  1
  O  O178  1  0.6080  0.2484  0.5753  1
  O  O179  1  0.6130  0.9177  0.5260  1
  O  O180  1  0.6140  0.9091  0.2431  1
  O  O181  1  0.6149  0.4161  0.3075  1
  O  O182  1  0.6159  0.0810  0.9760  1
  O  O183  1  0.6174  0.7500  0.6414  1
  O  O184  1  0.6187  0.5944  0.1960  1
  O  O185  1  0.6221  0.2530  0.8596  1
  O  O186  1  0.6727  0.5093  0.4093  1
  O  O187  1  0.6737  0.8406  0.7443  1
  O  O188  1  0.6760  0.8281  0.4252  1
  O  O189  1  0.6764  0.1826  0.0759  1
  O  O190  1  0.6780  0.8469  0.0280  1
  O  O191  1  0.6785  0.4907  0.0884  1
  O  O192  1  0.6811  0.5183  0.6938  1
  O  O193  1  0.6819  0.4857  0.8071  1
  O  O194  1  0.6821  0.8131  0.1413  1
  O  O195  1  0.6826  0.1485  0.4736  1
  O  O196  1  0.6928  0.1893  0.3614  1
  O  O197  1  0.6953  0.1548  0.7565  1
  O  O198  1  0.8050  0.6569  0.2558  1
  O  O199  1  0.8078  0.0125  0.1910  1
  O  O200  1  0.8147  0.3479  0.5255  1
  O  O201  1  0.8162  0.6527  0.9743  1
  O  O202  1  0.8164  0.6812  0.8588  1
  O  O203  1  0.8191  0.9840  0.3068  1
  O  O204  1  0.8219  0.3191  0.6401  1
  O  O205  1  0.8229  0.9834  0.5885  1
  O  O206  1  0.8238  0.6836  0.5760  1
  O  O207  1  0.8244  0.3242  0.9262  1
  O  O208  1  0.8266  0.0122  0.9086  1
  O  O209  1  0.8289  0.3452  0.2431  1
  O  O210  1  0.8753  0.7560  0.3562  1
  O  O211  1  0.8816  0.0923  0.6973  1
  O  O212  1  0.8854  0.2537  0.1392  1
  O  O213  1  0.8858  0.5832  0.4741  1
  O  O214  1  0.8872  0.9168  0.8066  1
  O  O215  1  0.8879  0.4161  0.0276  1
  O  O216  1  0.8881  0.5847  0.7580  1
  O  O217  1  0.8910  0.7461  0.0759  1
  O  O218  1  0.8927  0.9161  0.0862  1
  O  O219  1  0.8936  0.0802  0.4084  1
  O  O220  1  0.8943  0.2529  0.4262  1
  O  O221  1  0.8944  0.4131  0.7429  1
  O  O222  1  0.9241  0.0927  0.0871  1
  O  O223  1  0.9246  0.4265  0.4259  1
  O  O224  1  0.9264  0.1042  0.8027  1
  O  O225  1  0.9271  0.7599  0.7595  1
  O  O226  1  0.9291  0.2379  0.0271  1
  O  O227  1  0.9293  0.9060  0.4101  1
  O  O228  1  0.9300  0.2299  0.7451  1
  O  O229  1  0.9336  0.8934  0.6919  1
  O  O230  1  0.9347  0.7684  0.4745  1
  O  O231  1  0.9357  0.5729  0.0764  1
  O  O232  1  0.9370  0.5616  0.3608  1
  O  O233  1  0.9372  0.4342  0.1392  1
]