data_[Na42Mg6Zr18Si27S9O144]
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
  Zr  1.3300  1.5500  0.8600
  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 [9.2327]
_cell_length_b [15.9582]
_cell_length_c [22.8960]
_cell_angle_alpha [89.8704]
_cell_angle_beta [89.9192]
_cell_angle_gamma [89.9558]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Mg2Zr6Si9(SO16)3]
_chemical_formula_sum '[Na42 Mg6 Zr18 Si27 S9 O144]'
_cell_volume [3373.4107]
_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  0.0062  0.3286  0.6691  1
  Na  Na1  1  0.0075  0.6708  0.8321  1
  Na  Na2  1  0.0096  0.9897  0.0050  1
  Na  Na3  1  0.1226  0.8292  0.4262  1
  Na  Na4  1  0.1290  0.1633  0.0841  1
  Na  Na5  1  0.1406  0.4953  0.7525  1
  Na  Na6  1  0.1775  0.1872  0.7491  1
  Na  Na7  1  0.1782  0.5157  0.4266  1
  Na  Na8  1  0.1825  0.1548  0.4135  1
  Na  Na9  1  0.1994  0.8174  0.7531  1
  Na  Na10  1  0.2995  0.3175  0.2594  1
  Na  Na11  1  0.3170  0.6563  0.9107  1
  Na  Na12  1  0.3189  0.0131  0.9215  1
  Na  Na13  1  0.3204  0.6892  0.2525  1
  Na  Na14  1  0.3555  0.9930  0.2578  1
  Na  Na15  1  0.3636  0.6692  0.5846  1
  Na  Na16  1  0.3729  0.3324  0.9154  1
  Na  Na17  1  0.4911  0.4925  0.5067  1
  Na  Na18  1  0.4923  0.1697  0.3381  1
  Na  Na19  1  0.4934  0.8363  0.6712  1
  Na  Na20  1  0.4937  0.8284  0.1700  1
  Na  Na21  1  0.5054  0.1720  0.8304  1
  Na  Na22  1  0.5070  0.5069  0.9975  1
  Na  Na23  1  0.6283  0.9916  0.7474  1
  Na  Na24  1  0.6358  0.3296  0.4157  1
  Na  Na25  1  0.6716  0.6945  0.7511  1
  Na  Na26  1  0.6817  0.0102  0.4202  1
  Na  Na27  1  0.6849  0.9851  0.0813  1
  Na  Na28  1  0.6883  0.3491  0.0854  1
  Na  Na29  1  0.6899  0.3129  0.7550  1
  Na  Na30  1  0.6967  0.6579  0.4216  1
  Na  Na31  1  0.8055  0.1576  0.9158  1
  Na  Na32  1  0.8106  0.8135  0.2591  1
  Na  Na33  1  0.8169  0.4879  0.5815  1
  Na  Na34  1  0.8182  0.5131  0.9163  1
  Na  Na35  1  0.8221  0.8474  0.5802  1
  Na  Na36  1  0.8315  0.1949  0.2555  1
  Na  Na37  1  0.8643  0.8294  0.9126  1
  Na  Na38  1  0.8745  0.4931  0.2508  1
  Na  Na39  1  0.9937  0.6740  0.3357  1
  Na  Na40  1  0.9981  0.9984  0.5037  1
  Na  Na41  1  0.9993  0.3374  0.1760  1
  Mg  Mg42  1  0.0058  0.3272  0.3128  1
  Mg  Mg43  1  0.4936  0.8264  0.8112  1
  Mg  Mg44  1  0.5011  0.8335  0.3181  1
  Mg  Mg45  1  0.5120  0.1657  0.9859  1
  Mg  Mg46  1  0.9911  0.6730  0.4907  1
  Mg  Mg47  1  0.9966  0.3338  0.8162  1
  Zr  Zr48  1  0.0054  0.6713  0.6799  1
  Zr  Zr49  1  0.0066  0.9962  0.8456  1
  Zr  Zr50  1  0.0071  0.3291  0.5202  1
  Zr  Zr51  1  0.0120  0.9969  0.3557  1
  Zr  Zr52  1  0.0180  0.9965  0.1443  1
  Zr  Zr53  1  0.4816  0.4976  0.6441  1
  Zr  Zr54  1  0.4886  0.4982  0.8537  1
  Zr  Zr55  1  0.4927  0.8292  0.0200  1
  Zr  Zr56  1  0.4929  0.4966  0.3471  1
  Zr  Zr57  1  0.5034  0.1654  0.1837  1
  Zr  Zr58  1  0.5045  0.8428  0.5226  1
  Zr  Zr59  1  0.5054  0.5042  0.1522  1
  Zr  Zr60  1  0.5114  0.1680  0.4809  1
  Zr  Zr61  1  0.5133  0.1664  0.6867  1
  Zr  Zr62  1  0.9867  0.6663  0.1870  1
  Zr  Zr63  1  0.9877  0.3423  0.0187  1
  Zr  Zr64  1  0.9879  0.6681  0.9801  1
  Zr  Zr65  1  0.9988  0.9976  0.6497  1
  Si  Si66  1  0.1398  0.5214  0.5789  1
  Si  Si67  1  0.1429  0.4786  0.9140  1
  Si  Si68  1  0.1469  0.1472  0.2484  1
  Si  Si69  1  0.1489  0.8169  0.5793  1
  Si  Si70  1  0.1523  0.8511  0.2515  1
  Si  Si71  1  0.2025  0.4996  0.2487  1
  Si  Si72  1  0.2076  0.8356  0.9146  1
  Si  Si73  1  0.2919  0.3350  0.4140  1
  Si  Si74  1  0.2991  0.9999  0.7498  1
  Si  Si75  1  0.3473  0.3512  0.7519  1
  Si  Si76  1  0.3505  0.6473  0.7492  1
  Si  Si77  1  0.3589  0.9790  0.4134  1
  Si  Si78  1  0.3592  0.0217  0.0784  1
  Si  Si79  1  0.6437  0.6891  0.9128  1
  Si  Si80  1  0.6440  0.6509  0.2537  1
  Si  Si81  1  0.6503  0.3509  0.2490  1
  Si  Si82  1  0.6507  0.3144  0.5832  1
  Si  Si83  1  0.6528  0.0214  0.5841  1
  Si  Si84  1  0.7011  0.3291  0.9139  1
  Si  Si85  1  0.7059  0.6648  0.5811  1
  Si  Si86  1  0.7941  0.8285  0.4133  1
  Si  Si87  1  0.7963  0.1658  0.0809  1
  Si  Si88  1  0.8473  0.5203  0.0838  1
  Si  Si89  1  0.8479  0.8493  0.7499  1
  Si  Si90  1  0.8488  0.8141  0.0833  1
  Si  Si91  1  0.8556  0.1893  0.4123  1
  Si  Si92  1  0.8583  0.1493  0.7521  1
  S  S93  1  0.1474  0.1870  0.9172  1
  S  S94  1  0.2088  0.1659  0.5836  1
  S  S95  1  0.2915  0.6649  0.0835  1
  S  S96  1  0.3540  0.6860  0.4155  1
  S  S97  1  0.3540  0.3127  0.0814  1
  S  S98  1  0.6453  0.9803  0.9161  1
  S  S99  1  0.7081  1.0000  0.2493  1
  S  S100  1  0.7922  0.4997  0.7501  1
  S  S101  1  0.8545  0.4795  0.4150  1
  O  O102  1  0.0623  0.4284  0.5756  1
  O  O103  1  0.0683  0.4398  0.8569  1
  O  O104  1  0.0697  0.5636  0.6389  1
  O  O105  1  0.0702  0.8937  0.3082  1
  O  O106  1  0.0725  0.9087  0.5888  1
  O  O107  1  0.0735  0.7759  0.5227  1
  O  O108  1  0.0752  0.1006  0.1913  1
  O  O109  1  0.0761  0.1019  0.9140  1
  O  O110  1  0.0761  0.7583  0.2436  1
  O  O111  1  0.0763  0.2398  0.2515  1
  O  O112  1  0.0792  0.5741  0.9250  1
  O  O113  1  0.0850  0.2267  0.9710  1
  O  O114  1  0.0984  0.9210  0.9136  1
  O  O115  1  0.0997  0.4187  0.2552  1
  O  O116  1  0.1036  0.7519  0.9244  1
  O  O117  1  0.1097  0.5868  0.2428  1
  O  O118  1  0.1144  0.9137  0.1963  1
  O  O119  1  0.1158  0.0916  0.5877  1
  O  O120  1  0.1166  0.5780  0.5212  1
  O  O121  1  0.1167  0.2433  0.5795  1
  O  O122  1  0.1177  0.4156  0.9708  1
  O  O123  1  0.1190  0.2379  0.8650  1
  O  O124  1  0.1194  0.0862  0.3057  1
  O  O125  1  0.1200  0.7574  0.6386  1
  O  O126  1  0.1708  0.6502  0.7456  1
  O  O127  1  0.1725  0.3436  0.7568  1
  O  O128  1  0.1788  0.9889  0.4121  1
  O  O129  1  0.1817  0.0140  0.0867  1
  O  O130  1  0.1845  0.9859  0.6967  1
  O  O131  1  0.1848  0.3524  0.4703  1
  O  O132  1  0.1932  0.3171  0.0775  1
  O  O133  1  0.1949  0.6736  0.4197  1
  O  O134  1  0.1964  0.0183  0.8093  1
  O  O135  1  0.1991  0.3201  0.3555  1
  O  O136  1  0.2019  0.6750  0.1364  1
  O  O137  1  0.2029  0.6561  0.0300  1
  O  O138  1  0.2987  0.1579  0.5300  1
  O  O139  1  0.2995  0.1767  0.6365  1
  O  O140  1  0.3025  0.8202  0.8569  1
  O  O141  1  0.3068  0.1763  0.9224  1
  O  O142  1  0.3071  0.5173  0.3069  1
  O  O143  1  0.3141  0.8527  0.9716  1
  O  O144  1  0.3165  0.4855  0.1942  1
  O  O145  1  0.3177  0.5137  0.5869  1
  O  O146  1  0.3228  0.4877  0.9126  1
  O  O147  1  0.3261  0.8173  0.5763  1
  O  O148  1  0.3271  0.8432  0.2559  1
  O  O149  1  0.3272  0.1537  0.2419  1
  O  O150  1  0.3817  0.0806  0.0218  1
  O  O151  1  0.3823  0.7365  0.3627  1
  O  O152  1  0.3828  0.2608  0.1351  1
  O  O153  1  0.3830  0.5871  0.8072  1
  O  O154  1  0.3852  0.9168  0.4691  1
  O  O155  1  0.3852  0.7415  0.0796  1
  O  O156  1  0.3860  0.5894  0.0874  1
  O  O157  1  0.3866  0.4141  0.6975  1
  O  O158  1  0.3916  0.0877  0.7443  1
  O  O159  1  0.3966  0.2518  0.4232  1
  O  O160  1  0.4009  0.4205  0.4128  1
  O  O161  1  0.4018  0.9192  0.7566  1
  O  O162  1  0.4166  0.7248  0.4685  1
  O  O163  1  0.4179  0.2731  0.0295  1
  O  O164  1  0.4207  0.3967  0.0877  1
  O  O165  1  0.4217  0.0751  0.4236  1
  O  O166  1  0.4221  0.7393  0.7522  1
  O  O167  1  0.4232  0.5994  0.6930  1
  O  O168  1  0.4245  0.2586  0.7449  1
  O  O169  1  0.4258  0.6005  0.4117  1
  O  O170  1  0.4281  0.3927  0.8100  1
  O  O171  1  0.4294  0.0673  0.1376  1
  O  O172  1  0.4299  0.9422  0.3544  1
  O  O173  1  0.4388  0.9299  0.0761  1
  O  O174  1  0.5680  0.7339  0.9704  1
  O  O175  1  0.5703  0.2586  0.2440  1
  O  O176  1  0.5703  0.3953  0.3061  1
  O  O177  1  0.5709  0.7425  0.2551  1
  O  O178  1  0.5716  0.6010  0.1976  1
  O  O179  1  0.5745  0.5935  0.9100  1
  O  O180  1  0.5778  0.0650  0.9218  1
  O  O181  1  0.5787  0.2710  0.5251  1
  O  O182  1  0.5810  0.0649  0.6419  1
  O  O183  1  0.5836  0.9264  0.5803  1
  O  O184  1  0.5857  0.4099  0.5894  1
  O  O185  1  0.5863  0.9406  0.8642  1
  O  O186  1  0.5908  0.2487  0.9229  1
  O  O187  1  0.6012  0.7481  0.5757  1
  O  O188  1  0.6019  0.5819  0.5916  1
  O  O189  1  0.6069  0.4178  0.9118  1
  O  O190  1  0.6119  0.0759  0.5257  1
  O  O191  1  0.6122  0.4095  0.1913  1
  O  O192  1  0.6142  0.9260  0.2534  1
  O  O193  1  0.6148  0.0777  0.2443  1
  O  O194  1  0.6159  0.2578  0.6413  1
  O  O195  1  0.6183  0.5892  0.3107  1
  O  O196  1  0.6197  0.9282  0.9699  1
  O  O197  1  0.6261  0.7469  0.8562  1
  O  O198  1  0.6699  0.5042  0.0865  1
  O  O199  1  0.6724  0.8265  0.0763  1
  O  O200  1  0.6748  0.8449  0.7551  1
  O  O201  1  0.6775  0.1767  0.4217  1
  O  O202  1  0.6785  0.1549  0.7471  1
  O  O203  1  0.6898  0.8446  0.4718  1
  O  O204  1  0.6913  0.1849  0.1389  1
  O  O205  1  0.6914  0.4886  0.4120  1
  O  O206  1  0.6945  0.8157  0.3557  1
  O  O207  1  0.6987  0.1511  0.0237  1
  O  O208  1  0.7001  0.4890  0.6976  1
  O  O209  1  0.7003  0.5113  0.8033  1
  O  O210  1  0.7977  0.0138  0.3019  1
  O  O211  1  0.7993  0.9905  0.1962  1
  O  O212  1  0.8012  0.6449  0.5236  1
  O  O213  1  0.8051  0.3130  0.8584  1
  O  O214  1  0.8059  0.3452  0.9733  1
  O  O215  1  0.8080  0.9901  0.9134  1
  O  O216  1  0.8090  0.6818  0.6397  1
  O  O217  1  0.8218  0.6760  0.9221  1
  O  O218  1  0.8223  0.6552  0.2473  1
  O  O219  1  0.8236  0.3456  0.2532  1
  O  O220  1  0.8270  0.3260  0.5759  1
  O  O221  1  0.8282  0.0097  0.5873  1
  O  O222  1  0.8724  0.2464  0.3548  1
  O  O223  1  0.8793  0.4271  0.4686  1
  O  O224  1  0.8818  0.0902  0.8120  1
  O  O225  1  0.8841  0.5764  0.7461  1
  O  O226  1  0.8843  0.7573  0.1412  1
  O  O227  1  0.8844  0.4242  0.7549  1
  O  O228  1  0.8852  0.9096  0.6937  1
  O  O229  1  0.8855  0.5751  0.0257  1
  O  O230  1  0.8914  0.9174  0.4099  1
  O  O231  1  0.8967  0.0820  0.0905  1
  O  O232  1  0.9031  0.7468  0.4196  1
  O  O233  1  0.9073  0.2480  0.0764  1
  O  O234  1  0.9130  0.4387  0.3626  1
  O  O235  1  0.9141  0.9097  0.0894  1
  O  O236  1  0.9149  0.5636  0.1421  1
  O  O237  1  0.9195  0.4248  0.0797  1
  O  O238  1  0.9213  0.5636  0.4201  1
  O  O239  1  0.9214  0.7705  0.0254  1
  O  O240  1  0.9253  0.0941  0.4085  1
  O  O241  1  0.9263  0.7565  0.7464  1
  O  O242  1  0.9284  0.2423  0.7557  1
  O  O243  1  0.9284  0.8942  0.8076  1
  O  O244  1  0.9325  0.0994  0.6977  1
  O  O245  1  0.9325  0.2345  0.4691  1
]