data_[Na42Si33Sn24S3O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0867]
_cell_length_b [15.7303]
_cell_length_c [22.5837]
_cell_angle_alpha [90.2055]
_cell_angle_beta [90.1510]
_cell_angle_gamma [90.0021]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Si11Sn8SO48]
_chemical_formula_sum '[Na42 Si33 Sn24 S3 O144]'
_cell_volume [3227.9992]
_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  0.0004  0.0005  0.5001  1
  Na  Na1  1  0.0075  0.6667  0.1658  1
  Na  Na2  1  0.0126  0.3363  0.8318  1
  Na  Na3  1  0.1339  0.1678  0.9164  1
  Na  Na4  1  0.1349  0.8329  0.5810  1
  Na  Na5  1  0.1358  0.4992  0.2494  1
  Na  Na6  1  0.1809  0.4828  0.9161  1
  Na  Na7  1  0.1815  0.5168  0.5837  1
  Na  Na8  1  0.1835  0.8490  0.9190  1
  Na  Na9  1  0.1840  0.1830  0.2504  1
  Na  Na10  1  0.1859  0.1512  0.5838  1
  Na  Na11  1  0.3160  0.6502  0.0837  1
  Na  Na12  1  0.3173  0.3498  0.4161  1
  Na  Na13  1  0.3192  0.0170  0.0835  1
  Na  Na14  1  0.3200  0.9837  0.4161  1
  Na  Na15  1  0.3207  0.6793  0.7500  1
  Na  Na16  1  0.3682  0.6670  0.4164  1
  Na  Na17  1  0.3683  0.3334  0.0836  1
  Na  Na18  1  0.4872  0.8369  0.3321  1
  Na  Na19  1  0.4892  0.1620  0.6681  1
  Na  Na20  1  0.4995  0.4999  0.0008  1
  Na  Na21  1  0.5006  0.4998  0.4993  1
  Na  Na22  1  0.5032  0.1621  0.1689  1
  Na  Na23  1  0.5126  0.8363  0.8319  1
  Na  Na24  1  0.6336  0.6678  0.9165  1
  Na  Na25  1  0.6345  0.3328  0.5807  1
  Na  Na26  1  0.6791  0.6798  0.2496  1
  Na  Na27  1  0.6806  0.9828  0.9162  1
  Na  Na28  1  0.6814  0.0172  0.5835  1
  Na  Na29  1  0.6832  0.3490  0.9192  1
  Na  Na30  1  0.6832  0.3150  0.2504  1
  Na  Na31  1  0.6854  0.6509  0.5841  1
  Na  Na32  1  0.8144  0.1507  0.0836  1
  Na  Na33  1  0.8154  0.8496  0.4196  1
  Na  Na34  1  0.8158  0.4822  0.4170  1
  Na  Na35  1  0.8159  0.5172  0.0834  1
  Na  Na36  1  0.8207  0.1794  0.7500  1
  Na  Na37  1  0.8643  0.8327  0.0802  1
  Na  Na38  1  0.8654  0.1677  0.4166  1
  Na  Na39  1  0.9892  0.6619  0.6683  1
  Na  Na40  1  0.9993  0.0000  0.9997  1
  Na  Na41  1  0.9999  0.3328  0.3332  1
  Si  Si42  1  0.1454  0.8131  0.4168  1
  Si  Si43  1  0.1460  0.4798  0.0836  1
  Si  Si44  1  0.1476  0.1878  0.0826  1
  Si  Si45  1  0.1477  0.5189  0.4175  1
  Si  Si46  1  0.1497  0.1483  0.7498  1
  Si  Si47  1  0.2030  0.4992  0.7502  1
  Si  Si48  1  0.2037  0.8327  0.0821  1
  Si  Si49  1  0.2095  0.1678  0.4169  1
  Si  Si50  1  0.2888  0.6680  0.9160  1
  Si  Si51  1  0.2955  0.9975  0.2504  1
  Si  Si52  1  0.2964  0.3329  0.5823  1
  Si  Si53  1  0.3523  0.0184  0.9176  1
  Si  Si54  1  0.3524  0.6494  0.2501  1
  Si  Si55  1  0.3538  0.6896  0.5840  1
  Si  Si56  1  0.3538  0.3532  0.2499  1
  Si  Si57  1  0.3538  0.9784  0.5841  1
  Si  Si58  1  0.3557  0.3123  0.9160  1
  Si  Si59  1  0.6453  0.6884  0.0849  1
  Si  Si60  1  0.6458  0.3127  0.4162  1
  Si  Si61  1  0.6463  0.9787  0.0839  1
  Si  Si62  1  0.6467  0.0197  0.4165  1
  Si  Si63  1  0.6496  0.6483  0.7498  1
  Si  Si64  1  0.7030  0.9992  0.7503  1
  Si  Si65  1  0.7068  0.3336  0.0834  1
  Si  Si66  1  0.7085  0.6673  0.4156  1
  Si  Si67  1  0.7889  0.1680  0.9158  1
  Si  Si68  1  0.7938  0.5014  0.2502  1
  Si  Si69  1  0.7962  0.8331  0.5824  1
  Si  Si70  1  0.8511  0.1455  0.2497  1
  Si  Si71  1  0.8521  0.5184  0.9175  1
  Si  Si72  1  0.8537  0.1894  0.5842  1
  Si  Si73  1  0.8538  0.4785  0.5842  1
  Si  Si74  1  0.8554  0.8124  0.9159  1
  Sn  Sn75  1  0.0002  0.3332  0.9814  1
  Sn  Sn76  1  0.0004  0.3339  0.4820  1
  Sn  Sn77  1  0.0007  0.6665  0.5185  1
  Sn  Sn78  1  0.0028  0.0044  0.1471  1
  Sn  Sn79  1  0.0062  0.6637  0.3169  1
  Sn  Sn80  1  0.0071  0.0032  0.3527  1
  Sn  Sn81  1  0.0140  0.3340  0.6848  1
  Sn  Sn82  1  0.4865  0.8346  0.1843  1
  Sn  Sn83  1  0.4921  0.1599  0.8152  1
  Sn  Sn84  1  0.4932  0.5035  0.8523  1
  Sn  Sn85  1  0.4980  0.5052  0.6477  1
  Sn  Sn86  1  0.4989  0.1667  0.0183  1
  Sn  Sn87  1  0.4992  0.5009  0.1488  1
  Sn  Sn88  1  0.4997  0.5005  0.3513  1
  Sn  Sn89  1  0.5001  0.8333  0.9819  1
  Sn  Sn90  1  0.5005  0.8342  0.4817  1
  Sn  Sn91  1  0.5008  0.1634  0.3132  1
  Sn  Sn92  1  0.5025  0.1659  0.5182  1
  Sn  Sn93  1  0.5139  0.8340  0.6849  1
  Sn  Sn94  1  0.9922  0.6599  0.8152  1
  Sn  Sn95  1  0.9933  0.0035  0.8522  1
  Sn  Sn96  1  0.9969  0.6665  0.0180  1
  Sn  Sn97  1  0.9981  0.0052  0.6478  1
  Sn  Sn98  1  0.9999  0.3328  0.1855  1
  S  S99  1  0.1462  0.8536  0.7499  1
  S  S100  1  0.6462  0.3536  0.7499  1
  S  S101  1  0.8545  0.8534  0.2500  1
  O  O102  1  0.0554  0.2385  0.7456  1
  O  O103  1  0.0654  0.9067  0.4106  1
  O  O104  1  0.0656  0.7755  0.4762  1
  O  O105  1  0.0656  0.4402  0.1421  1
  O  O106  1  0.0657  0.5560  0.3583  1
  O  O107  1  0.0662  0.2264  0.0239  1
  O  O108  1  0.0689  0.5742  0.0786  1
  O  O109  1  0.0698  0.4253  0.4219  1
  O  O110  1  0.0700  0.1062  0.8086  1
  O  O111  1  0.0706  0.0931  0.0859  1
  O  O112  1  0.0796  0.7675  0.7539  1
  O  O113  1  0.0821  0.8930  0.6960  1
  O  O114  1  0.0974  0.4155  0.7466  1
  O  O115  1  0.0988  0.9174  0.0899  1
  O  O116  1  0.1001  0.7477  0.0776  1
  O  O117  1  0.1045  0.2526  0.4216  1
  O  O118  1  0.1049  0.0821  0.4139  1
  O  O119  1  0.1148  0.5915  0.7545  1
  O  O120  1  0.1193  0.9054  0.8040  1
  O  O121  1  0.1246  0.0898  0.6903  1
  O  O122  1  0.1249  0.7504  0.3599  1
  O  O123  1  0.1278  0.2467  0.1417  1
  O  O124  1  0.1279  0.4200  0.0245  1
  O  O125  1  0.1287  0.5802  0.4757  1
  O  O126  1  0.1714  0.6540  0.2548  1
  O  O127  1  0.1727  0.0084  0.9094  1
  O  O128  1  0.1731  0.9863  0.5901  1
  O  O129  1  0.1736  0.3454  0.2453  1
  O  O130  1  0.1743  0.6793  0.5791  1
  O  O131  1  0.1758  0.3223  0.9209  1
  O  O132  1  0.1891  0.6882  0.8570  1
  O  O133  1  0.1906  0.6470  0.9749  1
  O  O134  1  0.1934  0.0163  0.1911  1
  O  O135  1  0.1941  0.3086  0.6385  1
  O  O136  1  0.1956  0.9810  0.3098  1
  O  O137  1  0.1986  0.3564  0.5234  1
  O  O138  1  0.3015  0.8558  0.0233  1
  O  O139  1  0.3030  0.4828  0.8098  1
  O  O140  1  0.3056  0.5178  0.6914  1
  O  O141  1  0.3056  0.8083  0.1386  1
  O  O142  1  0.3075  0.1465  0.4760  1
  O  O143  1  0.3077  0.1873  0.3582  1
  O  O144  1  0.3087  0.8439  0.7459  1
  O  O145  1  0.3250  0.8224  0.4213  1
  O  O146  1  0.3261  0.4888  0.0881  1
  O  O147  1  0.3270  0.1785  0.0785  1
  O  O148  1  0.3274  0.5117  0.4126  1
  O  O149  1  0.3281  0.1592  0.7536  1
  O  O150  1  0.3658  0.0789  0.9768  1
  O  O151  1  0.3689  0.9206  0.5236  1
  O  O152  1  0.3704  0.5882  0.1913  1
  O  O153  1  0.3715  0.4140  0.3087  1
  O  O154  1  0.3731  0.7497  0.6429  1
  O  O155  1  0.3779  0.2489  0.8599  1
  O  O156  1  0.3850  0.0880  0.2544  1
  O  O157  1  0.3937  0.5825  0.9129  1
  O  O158  1  0.3942  0.7526  0.9211  1
  O  O159  1  0.3998  0.2479  0.5775  1
  O  O160  1  0.4009  0.4180  0.5905  1
  O  O161  1  0.4012  0.9136  0.2465  1
  O  O162  1  0.4287  0.9242  0.9224  1
  O  O163  1  0.4294  0.0732  0.5790  1
  O  O164  1  0.4297  0.5944  0.5870  1
  O  O165  1  0.4300  0.2594  0.2546  1
  O  O166  1  0.4314  0.6083  0.3091  1
  O  O167  1  0.4339  0.3935  0.1913  1
  O  O168  1  0.4343  0.4067  0.9100  1
  O  O169  1  0.4345  0.2757  0.9763  1
  O  O170  1  0.4346  0.7279  0.5250  1
  O  O171  1  0.4377  0.9355  0.6400  1
  O  O172  1  0.4404  0.0571  0.8615  1
  O  O173  1  0.4436  0.7397  0.2453  1
  O  O174  1  0.5554  0.7385  0.7456  1
  O  O175  1  0.5601  0.0611  0.3609  1
  O  O176  1  0.5628  0.9361  0.1400  1
  O  O177  1  0.5652  0.7270  0.0255  1
  O  O178  1  0.5668  0.2740  0.4755  1
  O  O179  1  0.5686  0.5939  0.0889  1
  O  O180  1  0.5695  0.4075  0.4118  1
  O  O181  1  0.5700  0.6062  0.8086  1
  O  O182  1  0.5703  0.9254  0.4215  1
  O  O183  1  0.5713  0.0734  0.0787  1
  O  O184  1  0.5796  0.2675  0.7540  1
  O  O185  1  0.5821  0.3930  0.6961  1
  O  O186  1  0.5974  0.9154  0.7466  1
  O  O187  1  0.6043  0.4196  0.0882  1
  O  O188  1  0.6048  0.2476  0.0786  1
  O  O189  1  0.6051  0.7526  0.4210  1
  O  O190  1  0.6058  0.5815  0.4111  1
  O  O191  1  0.6148  0.0915  0.7545  1
  O  O192  1  0.6194  0.4054  0.8040  1
  O  O193  1  0.6245  0.5899  0.6902  1
  O  O194  1  0.6255  0.2522  0.3578  1
  O  O195  1  0.6271  0.7497  0.1434  1
  O  O196  1  0.6310  0.9205  0.0237  1
  O  O197  1  0.6345  0.0786  0.4767  1
  O  O198  1  0.6727  0.5084  0.9093  1
  O  O199  1  0.6731  0.4864  0.5901  1
  O  O200  1  0.6740  0.1603  0.2537  1
  O  O201  1  0.6743  0.1792  0.5794  1
  O  O202  1  0.6755  0.8220  0.9210  1
  O  O203  1  0.6890  0.1880  0.8570  1
  O  O204  1  0.6913  0.8433  0.2459  1
  O  O205  1  0.6913  0.1468  0.9748  1
  O  O206  1  0.6939  0.8085  0.6385  1
  O  O207  1  0.6944  0.5218  0.1914  1
  O  O208  1  0.6948  0.4812  0.3089  1
  O  O209  1  0.6991  0.8560  0.5232  1
  O  O210  1  0.8031  0.9828  0.8098  1
  O  O211  1  0.8056  0.0177  0.6914  1
  O  O212  1  0.8059  0.3537  0.0245  1
  O  O213  1  0.8066  0.3130  0.1422  1
  O  O214  1  0.8080  0.6466  0.4744  1
  O  O215  1  0.8087  0.3439  0.7459  1
  O  O216  1  0.8089  0.6882  0.3567  1
  O  O217  1  0.8251  0.6793  0.0795  1
  O  O218  1  0.8260  0.3215  0.4212  1
  O  O219  1  0.8263  0.0084  0.4089  1
  O  O220  1  0.8270  0.9861  0.0900  1
  O  O221  1  0.8280  0.6592  0.7536  1
  O  O222  1  0.8651  0.5788  0.9767  1
  O  O223  1  0.8691  0.4208  0.5237  1
  O  O224  1  0.8731  0.2496  0.6431  1
  O  O225  1  0.8764  0.0882  0.1900  1
  O  O226  1  0.8781  0.7489  0.8599  1
  O  O227  1  0.8812  0.9047  0.3041  1
  O  O228  1  0.8938  0.0824  0.9129  1
  O  O229  1  0.8940  0.5894  0.2548  1
  O  O230  1  0.8940  0.2526  0.9207  1
  O  O231  1  0.8974  0.4162  0.2456  1
  O  O232  1  0.8993  0.7479  0.5777  1
  O  O233  1  0.9010  0.9179  0.5905  1
  O  O234  1  0.9176  0.8922  0.1962  1
  O  O235  1  0.9207  0.7669  0.2540  1
  O  O236  1  0.9283  0.4243  0.9223  1
  O  O237  1  0.9289  0.5734  0.5790  1
  O  O238  1  0.9296  0.0942  0.5871  1
  O  O239  1  0.9321  0.1053  0.3084  1
  O  O240  1  0.9330  0.2395  0.2457  1
  O  O241  1  0.9339  0.7759  0.9763  1
  O  O242  1  0.9342  0.9067  0.9100  1
  O  O243  1  0.9344  0.2277  0.5252  1
  O  O244  1  0.9378  0.4356  0.6401  1
  O  O245  1  0.9405  0.5572  0.8615  1
]