data_[Na18Mg8Nb16Si21S15O144]
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
  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 [8.9324]
_cell_length_b [15.4512]
_cell_length_c [22.8039]
_cell_angle_alpha [89.7097]
_cell_angle_beta [89.8518]
_cell_angle_gamma [89.9207]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na18Mg8Nb16Si21(S5O48)3]
_chemical_formula_sum '[Na18 Mg8 Nb16 Si21 S15 O144]'
_cell_volume [3147.2496]
_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  0.0023  0.3369  0.6638  1
  Na  Na1  1  0.0028  0.0090  0.9869  1
  Na  Na2  1  0.0044  0.6725  0.3300  1
  Na  Na3  1  0.0078  0.3436  0.1620  1
  Na  Na4  1  0.0094  0.6728  0.8253  1
  Na  Na5  1  0.1970  0.1831  0.2408  1
  Na  Na6  1  0.2972  0.6742  0.7442  1
  Na  Na7  1  0.4924  0.8402  0.6641  1
  Na  Na8  1  0.4946  0.1757  0.8275  1
  Na  Na9  1  0.4981  0.5091  0.4925  1
  Na  Na10  1  0.4983  0.1847  0.3328  1
  Na  Na11  1  0.5021  0.8317  0.1602  1
  Na  Na12  1  0.5060  0.5086  0.9875  1
  Na  Na13  1  0.6396  0.0032  0.2416  1
  Na  Na14  1  0.6959  0.6802  0.2399  1
  Na  Na15  1  0.8022  0.1828  0.7421  1
  Na  Na16  1  0.8652  0.5061  0.7402  1
  Na  Na17  1  0.9934  0.0097  0.4898  1
  Mg  Mg18  1  0.0054  0.9996  0.8573  1
  Mg  Mg19  1  0.0126  0.6636  0.6857  1
  Mg  Mg20  1  0.4939  0.1713  0.1826  1
  Mg  Mg21  1  0.4950  0.4978  0.3578  1
  Mg  Mg22  1  0.4970  0.4998  0.8554  1
  Mg  Mg23  1  0.5050  0.1668  0.6841  1
  Mg  Mg24  1  0.9938  0.6662  0.1841  1
  Mg  Mg25  1  0.9958  0.9985  0.3581  1
  Nb  Nb26  1  0.0001  0.6547  0.9768  1
  Nb  Nb27  1  0.0011  0.3310  0.5216  1
  Nb  Nb28  1  0.0119  0.9990  0.6426  1
  Nb  Nb29  1  0.0183  0.3401  0.3141  1
  Nb  Nb30  1  0.4807  0.8378  0.8130  1
  Nb  Nb31  1  0.4878  0.4986  0.1419  1
  Nb  Nb32  1  0.4957  0.4965  0.6451  1
  Nb  Nb33  1  0.4983  0.1559  0.4781  1
  Nb  Nb34  1  0.5009  0.1563  0.9776  1
  Nb  Nb35  1  0.5009  0.8310  0.0199  1
  Nb  Nb36  1  0.5037  0.8304  0.5216  1
  Nb  Nb37  1  0.5146  0.8341  0.3151  1
  Nb  Nb38  1  0.9873  0.3385  0.8113  1
  Nb  Nb39  1  0.9894  0.9979  0.1407  1
  Nb  Nb40  1  0.9984  0.6552  0.4796  1
  Nb  Nb41  1  0.9991  0.3305  0.0195  1
  Si  Si42  1  0.1292  0.8544  0.7542  1
  Si  Si43  1  0.1346  0.5210  0.0867  1
  Si  Si44  1  0.1483  0.1857  0.4169  1
  Si  Si45  1  0.1562  0.4788  0.4193  1
  Si  Si46  1  0.2121  0.5000  0.7547  1
  Si  Si47  1  0.2129  0.1672  0.0870  1
  Si  Si48  1  0.2883  0.6653  0.5865  1
  Si  Si49  1  0.3454  0.9777  0.9185  1
  Si  Si50  1  0.3519  0.6852  0.9173  1
  Si  Si51  1  0.3636  0.0211  0.5871  1
  Si  Si52  1  0.3699  0.3527  0.2540  1
  Si  Si53  1  0.6280  0.3519  0.7538  1
  Si  Si54  1  0.6339  0.0211  0.0885  1
  Si  Si55  1  0.6512  0.6837  0.4180  1
  Si  Si56  1  0.6534  0.9782  0.4177  1
  Si  Si57  1  0.7141  0.6666  0.0875  1
  Si  Si58  1  0.7856  0.1656  0.5872  1
  Si  Si59  1  0.8428  0.4764  0.9167  1
  Si  Si60  1  0.8518  0.5192  0.5884  1
  Si  Si61  1  0.8536  0.1854  0.9155  1
  Si  Si62  1  0.8696  0.8518  0.2540  1
  S  S63  1  0.1446  0.8102  0.0845  1
  S  S64  1  0.1469  0.1431  0.7501  1
  S  S65  1  0.2134  0.8327  0.4169  1
  S  S66  1  0.2858  0.9972  0.2514  1
  S  S67  1  0.2885  0.3319  0.9172  1
  S  S68  1  0.3528  0.6445  0.2503  1
  S  S69  1  0.3569  0.3096  0.5834  1
  S  S70  1  0.6441  0.6475  0.7500  1
  S  S71  1  0.6445  0.3113  0.0838  1
  S  S72  1  0.7141  0.3328  0.4165  1
  S  S73  1  0.7141  0.9974  0.7516  1
  S  S74  1  0.7856  0.4974  0.2514  1
  S  S75  1  0.7878  0.8325  0.9161  1
  S  S76  1  0.8556  0.1461  0.2497  1
  S  S77  1  0.8579  0.8105  0.5845  1
  O  O78  1  0.0657  0.5734  0.4220  1
  O  O79  1  0.0672  0.2298  0.7516  1
  O  O80  1  0.0705  0.5642  0.1433  1
  O  O81  1  0.0735  0.4229  0.0743  1
  O  O82  1  0.0745  0.1018  0.6956  1
  O  O83  1  0.0747  0.4336  0.3593  1
  O  O84  1  0.0749  0.9047  0.8097  1
  O  O85  1  0.0758  0.2394  0.4721  1
  O  O86  1  0.0777  0.7563  0.7467  1
  O  O87  1  0.0790  0.9014  0.0899  1
  O  O88  1  0.0799  0.7741  0.0311  1
  O  O89  1  0.0828  0.0918  0.4098  1
  O  O90  1  0.0888  0.5760  0.7472  1
  O  O91  1  0.0949  0.4188  0.4731  1
  O  O92  1  0.0952  0.2469  0.0731  1
  O  O93  1  0.1024  0.9162  0.6931  1
  O  O94  1  0.1069  0.0775  0.0927  1
  O  O95  1  0.1092  0.2495  0.3575  1
  O  O96  1  0.1133  0.0932  0.8025  1
  O  O97  1  0.1135  0.5810  0.0258  1
  O  O98  1  0.1152  0.4062  0.7579  1
  O  O99  1  0.1184  0.7613  0.1379  1
  O  O100  1  0.1200  0.7537  0.4211  1
  O  O101  1  0.1250  0.9110  0.4119  1
  O  O102  1  0.1675  0.6901  0.9257  1
  O  O103  1  0.1712  0.9866  0.9173  1
  O  O104  1  0.1725  0.3457  0.2555  1
  O  O105  1  0.1747  0.6565  0.5283  1
  O  O106  1  0.1757  0.0113  0.5903  1
  O  O107  1  0.1892  0.3226  0.5776  1
  O  O108  1  0.1927  0.3385  0.9715  1
  O  O109  1  0.1927  0.6573  0.2423  1
  O  O110  1  0.1928  0.3184  0.8649  1
  O  O111  1  0.1932  0.0098  0.3031  1
  O  O112  1  0.1943  0.9891  0.1970  1
  O  O113  1  0.2063  0.6865  0.6462  1
  O  O114  1  0.2944  0.1843  0.1474  1
  O  O115  1  0.3072  0.1550  0.7417  1
  O  O116  1  0.3083  0.8403  0.4702  1
  O  O117  1  0.3106  0.8239  0.0786  1
  O  O118  1  0.3124  0.8202  0.3635  1
  O  O119  1  0.3203  0.5234  0.8070  1
  O  O120  1  0.3210  0.4886  0.6936  1
  O  O121  1  0.3236  0.5111  0.0913  1
  O  O122  1  0.3250  0.1559  0.0293  1
  O  O123  1  0.3271  0.8475  0.7562  1
  O  O124  1  0.3306  0.4871  0.4175  1
  O  O125  1  0.3327  0.1903  0.4243  1
  O  O126  1  0.3786  0.4093  0.9146  1
  O  O127  1  0.3810  0.2604  0.6368  1
  O  O128  1  0.3812  0.9153  0.2546  1
  O  O129  1  0.3827  0.2523  0.9234  1
  O  O130  1  0.3859  0.0809  0.5256  1
  O  O131  1  0.3876  0.5950  0.3027  1
  O  O132  1  0.3908  0.7490  0.8584  1
  O  O133  1  0.3925  0.0710  0.2469  1
  O  O134  1  0.3950  0.5781  0.5889  1
  O  O135  1  0.3992  0.4139  0.1930  1
  O  O136  1  0.4023  0.7476  0.5709  1
  O  O137  1  0.4064  0.9203  0.9741  1
  O  O138  1  0.4171  0.2695  0.5297  1
  O  O139  1  0.4212  0.7421  0.9726  1
  O  O140  1  0.4221  0.2533  0.2477  1
  O  O141  1  0.4238  0.5929  0.9150  1
  O  O142  1  0.4249  0.3983  0.5860  1
  O  O143  1  0.4264  0.4022  0.3094  1
  O  O144  1  0.4265  0.9231  0.5740  1
  O  O145  1  0.4269  0.6047  0.1961  1
  O  O146  1  0.4271  0.9324  0.8596  1
  O  O147  1  0.4298  0.0643  0.6431  1
  O  O148  1  0.4312  0.7332  0.2529  1
  O  O149  1  0.4354  0.0728  0.9223  1
  O  O150  1  0.5647  0.0732  0.4208  1
  O  O151  1  0.5667  0.7354  0.7541  1
  O  O152  1  0.5699  0.6070  0.6969  1
  O  O153  1  0.5719  0.9232  0.0763  1
  O  O154  1  0.5734  0.9329  0.3573  1
  O  O155  1  0.5737  0.2532  0.7477  1
  O  O156  1  0.5773  0.7389  0.4723  1
  O  O157  1  0.5792  0.0606  0.1489  1
  O  O158  1  0.5792  0.4014  0.0891  1
  O  O159  1  0.5794  0.2739  0.0306  1
  O  O160  1  0.5812  0.4031  0.8100  1
  O  O161  1  0.5838  0.5908  0.4101  1
  O  O162  1  0.5932  0.9186  0.4719  1
  O  O163  1  0.5963  0.7469  0.0728  1
  O  O164  1  0.6081  0.5779  0.0933  1
  O  O165  1  0.6093  0.0834  0.0293  1
  O  O166  1  0.6100  0.4147  0.6930  1
  O  O167  1  0.6102  0.0715  0.7460  1
  O  O168  1  0.6116  0.7483  0.3583  1
  O  O169  1  0.6197  0.2536  0.4216  1
  O  O170  1  0.6200  0.2611  0.1370  1
  O  O171  1  0.6213  0.5962  0.8029  1
  O  O172  1  0.6232  0.9141  0.7559  1
  O  O173  1  0.6250  0.4108  0.4124  1
  O  O174  1  0.6688  0.5093  0.5894  1
  O  O175  1  0.6691  0.4861  0.9155  1
  O  O176  1  0.6691  0.1889  0.9266  1
  O  O177  1  0.6702  0.8476  0.2556  1
  O  O178  1  0.6727  0.1552  0.5289  1
  O  O179  1  0.6899  0.8234  0.5781  1
  O  O180  1  0.6909  0.8194  0.8640  1
  O  O181  1  0.6921  0.8399  0.9707  1
  O  O182  1  0.6926  0.1548  0.2422  1
  O  O183  1  0.6927  0.5105  0.3032  1
  O  O184  1  0.6934  0.4879  0.1971  1
  O  O185  1  0.7049  0.1854  0.6475  1
  O  O186  1  0.7937  0.6867  0.1479  1
  O  O187  1  0.8047  0.6605  0.7401  1
  O  O188  1  0.8067  0.0105  0.8033  1
  O  O189  1  0.8071  0.9879  0.6971  1
  O  O190  1  0.8084  0.3397  0.4702  1
  O  O191  1  0.8105  0.3237  0.0777  1
  O  O192  1  0.8113  0.3197  0.3634  1
  O  O193  1  0.8227  0.0117  0.0906  1
  O  O194  1  0.8262  0.3451  0.7551  1
  O  O195  1  0.8265  0.6559  0.0297  1
  O  O196  1  0.8280  0.9869  0.4162  1
  O  O197  1  0.8344  0.6901  0.4251  1
  O  O198  1  0.8762  0.9107  0.9130  1
  O  O199  1  0.8774  0.4141  0.2557  1
  O  O200  1  0.8819  0.7535  0.9226  1
  O  O201  1  0.8824  0.7597  0.6370  1
  O  O202  1  0.8866  0.0939  0.3016  1
  O  O203  1  0.8880  0.5819  0.5283  1
  O  O204  1  0.8897  0.5714  0.2460  1
  O  O205  1  0.8916  0.0772  0.5917  1
  O  O206  1  0.8928  0.2467  0.8571  1
  O  O207  1  0.8933  0.9155  0.1931  1
  O  O208  1  0.9018  0.2463  0.5718  1
  O  O209  1  0.9053  0.4181  0.9721  1
  O  O210  1  0.9163  0.0903  0.9113  1
  O  O211  1  0.9190  0.5592  0.6462  1
  O  O212  1  0.9204  0.7734  0.5301  1
  O  O213  1  0.9209  0.9059  0.3082  1
  O  O214  1  0.9214  0.7529  0.2486  1
  O  O215  1  0.9217  0.9007  0.5890  1
  O  O216  1  0.9248  0.2391  0.9719  1
  O  O217  1  0.9250  0.4231  0.5738  1
  O  O218  1  0.9251  0.4337  0.8570  1
  O  O219  1  0.9268  0.1046  0.1955  1
  O  O220  1  0.9289  0.2336  0.2523  1
  O  O221  1  0.9327  0.5719  0.9222  1
]