data_[Na30Si27Sn12Ge12S9O144]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8338]
_cell_length_b [15.3227]
_cell_length_c [22.2250]
_cell_angle_alpha [89.6224]
_cell_angle_beta [89.9242]
_cell_angle_gamma [89.8341]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Si9Sn4Ge4(SO16)3]
_chemical_formula_sum '[Na30 Si27 Sn12 Ge12 S9 O144]'
_cell_volume [3008.2439]
_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  0.0054  0.0010  0.4972  1
  Na  Na1  1  0.0156  0.3373  0.6678  1
  Na  Na2  1  0.1390  0.1629  0.0820  1
  Na  Na3  1  0.1817  0.8216  0.7519  1
  Na  Na4  1  0.1828  0.4836  0.0871  1
  Na  Na5  1  0.1864  0.8529  0.0879  1
  Na  Na6  1  0.1893  0.5140  0.4210  1
  Na  Na7  1  0.3115  0.6835  0.2536  1
  Na  Na8  1  0.3151  0.3465  0.5841  1
  Na  Na9  1  0.3200  0.0131  0.9211  1
  Na  Na10  1  0.3229  0.9857  0.5878  1
  Na  Na11  1  0.3629  0.6679  0.5795  1
  Na  Na12  1  0.4883  0.1702  0.8373  1
  Na  Na13  1  0.4922  0.1785  0.3328  1
  Na  Na14  1  0.5015  0.5003  0.4985  1
  Na  Na15  1  0.5048  0.5075  0.0021  1
  Na  Na16  1  0.5099  0.8443  0.1637  1
  Na  Na17  1  0.5168  0.8394  0.6705  1
  Na  Na18  1  0.6806  0.0149  0.4213  1
  Na  Na19  1  0.6811  0.3201  0.7508  1
  Na  Na20  1  0.6864  0.3503  0.0852  1
  Na  Na21  1  0.8062  0.1828  0.2519  1
  Na  Na22  1  0.8107  0.5185  0.9219  1
  Na  Na23  1  0.8172  0.8509  0.5852  1
  Na  Na24  1  0.8189  0.4843  0.5864  1
  Na  Na25  1  0.8695  0.1657  0.5833  1
  Na  Na26  1  0.9805  0.6744  0.8358  1
  Na  Na27  1  0.9818  0.0036  0.9976  1
  Na  Na28  1  0.9922  0.6777  0.3312  1
  Na  Na29  1  0.9989  0.3408  0.1672  1
  Si  Si30  1  0.1315  0.8584  0.2468  1
  Si  Si31  1  0.1423  0.5218  0.5825  1
  Si  Si32  1  0.1461  0.8153  0.5871  1
  Si  Si33  1  0.1502  0.1804  0.9181  1
  Si  Si34  1  0.2078  0.5003  0.2453  1
  Si  Si35  1  0.2101  0.8272  0.9158  1
  Si  Si36  1  0.2153  0.1622  0.5831  1
  Si  Si37  1  0.2895  0.6667  0.0818  1
  Si  Si38  1  0.2942  0.9981  0.7522  1
  Si  Si39  1  0.2981  0.3259  0.4174  1
  Si  Si40  1  0.3503  0.3524  0.7512  1
  Si  Si41  1  0.3549  0.6857  0.4135  1
  Si  Si42  1  0.3610  0.3082  0.0863  1
  Si  Si43  1  0.3652  0.0221  0.0833  1
  Si  Si44  1  0.6388  0.3522  0.2445  1
  Si  Si45  1  0.6434  0.6969  0.9192  1
  Si  Si46  1  0.6445  0.3083  0.5834  1
  Si  Si47  1  0.6482  0.0250  0.5824  1
  Si  Si48  1  0.7001  0.3260  0.9188  1
  Si  Si49  1  0.7068  0.0006  0.2449  1
  Si  Si50  1  0.7100  0.6668  0.5828  1
  Si  Si51  1  0.7833  0.1579  0.0834  1
  Si  Si52  1  0.7942  0.8323  0.4132  1
  Si  Si53  1  0.8030  0.5018  0.7520  1
  Si  Si54  1  0.8488  0.1816  0.4135  1
  Si  Si55  1  0.8500  0.8628  0.7530  1
  Si  Si56  1  0.8524  0.5315  0.0840  1
  Sn  Sn57  1  0.0012  0.3313  0.3107  1
  Sn  Sn58  1  0.0027  0.3274  0.8151  1
  Sn  Sn59  1  0.0032  0.3264  0.5173  1
  Sn  Sn60  1  0.0032  0.6750  0.4804  1
  Sn  Sn61  1  0.4913  0.4948  0.3501  1
  Sn  Sn62  1  0.4916  0.1649  0.6883  1
  Sn  Sn63  1  0.4964  0.8368  0.3097  1
  Sn  Sn64  1  0.5009  0.4951  0.6478  1
  Sn  Sn65  1  0.5037  0.8325  0.5170  1
  Sn  Sn66  1  0.5113  0.4995  0.8554  1
  Sn  Sn67  1  0.9906  0.6695  0.6880  1
  Sn  Sn68  1  0.9967  0.3269  0.0217  1
  Ge  Ge69  1  0.0036  0.9936  0.6469  1
  Ge  Ge70  1  0.0203  0.6663  0.1854  1
  Ge  Ge71  1  0.0248  0.9928  0.8547  1
  Ge  Ge72  1  0.4778  0.8299  0.0185  1
  Ge  Ge73  1  0.4959  0.1735  0.9845  1
  Ge  Ge74  1  0.4989  0.4946  0.1421  1
  Ge  Ge75  1  0.5041  0.1725  0.4825  1
  Ge  Ge76  1  0.5089  0.8365  0.8159  1
  Ge  Ge77  1  0.5105  0.1642  0.1830  1
  Ge  Ge78  1  0.9707  0.9936  0.3495  1
  Ge  Ge79  1  0.9952  0.6720  0.9814  1
  Ge  Ge80  1  0.9993  0.9995  0.1462  1
  S  S81  1  0.1461  0.4834  0.9183  1
  S  S82  1  0.1491  0.1387  0.2492  1
  S  S83  1  0.3439  0.9836  0.4158  1
  S  S84  1  0.3578  0.6487  0.7516  1
  S  S85  1  0.6480  0.9756  0.9172  1
  S  S86  1  0.6511  0.6427  0.2458  1
  S  S87  1  0.8508  0.4808  0.4157  1
  S  S88  1  0.8525  0.8111  0.0837  1
  S  S89  1  0.8605  0.1382  0.7503  1
  O  O90  1  0.0537  0.7589  0.2409  1
  O  O91  1  0.0553  0.7778  0.5297  1
  O  O92  1  0.0579  0.5653  0.6396  1
  O  O93  1  0.0627  0.9076  0.3061  1
  O  O94  1  0.0643  0.0834  0.9093  1
  O  O95  1  0.0652  0.9113  0.5920  1
  O  O96  1  0.0663  0.4246  0.5780  1
  O  O97  1  0.0671  0.5691  0.9216  1
  O  O98  1  0.0729  0.2266  0.2507  1
  O  O99  1  0.0762  0.2196  0.9799  1
  O  O100  1  0.0766  0.4411  0.8654  1
  O  O101  1  0.0825  0.1024  0.1920  1
  O  O102  1  0.1018  0.2464  0.5780  1
  O  O103  1  0.1029  0.5908  0.2407  1
  O  O104  1  0.1034  0.7410  0.9266  1
  O  O105  1  0.1035  0.9165  0.9114  1
  O  O106  1  0.1044  0.4133  0.2512  1
  O  O107  1  0.1058  0.0761  0.5938  1
  O  O108  1  0.1107  0.9151  0.1841  1
  O  O109  1  0.1109  0.0868  0.3031  1
  O  O110  1  0.1248  0.4313  0.9745  1
  O  O111  1  0.1261  0.5790  0.5204  1
  O  O112  1  0.1293  0.2451  0.8611  1
  O  O113  1  0.1382  0.7531  0.6468  1
  O  O114  1  0.1690  0.3400  0.7547  1
  O  O115  1  0.1700  0.6476  0.0268  1
  O  O116  1  0.1717  0.6685  0.4166  1
  O  O117  1  0.1745  0.0096  0.0899  1
  O  O118  1  0.1766  0.3228  0.0808  1
  O  O119  1  0.1802  0.9924  0.4082  1
  O  O120  1  0.1838  0.9795  0.6930  1
  O  O121  1  0.1905  0.3152  0.3585  1
  O  O122  1  0.1908  0.6599  0.7503  1
  O  O123  1  0.1918  0.6935  0.1431  1
  O  O124  1  0.1944  0.0141  0.8132  1
  O  O125  1  0.1963  0.3550  0.4763  1
  O  O126  1  0.3000  0.5253  0.3067  1
  O  O127  1  0.3085  0.1944  0.6416  1
  O  O128  1  0.3098  0.8559  0.9757  1
  O  O129  1  0.3108  0.4958  0.9127  1
  O  O130  1  0.3142  0.1481  0.2462  1
  O  O131  1  0.3160  0.8402  0.2509  1
  O  O132  1  0.3193  0.8151  0.8565  1
  O  O133  1  0.3194  0.4890  0.1869  1
  O  O134  1  0.3262  0.1392  0.5261  1
  O  O135  1  0.3263  0.5143  0.5881  1
  O  O136  1  0.3269  0.8297  0.5779  1
  O  O137  1  0.3351  0.1662  0.9252  1
  O  O138  1  0.3671  0.9308  0.4722  1
  O  O139  1  0.3729  0.4057  0.6875  1
  O  O140  1  0.3792  0.2409  0.1429  1
  O  O141  1  0.3796  0.7431  0.3523  1
  O  O142  1  0.3801  0.0849  0.0233  1
  O  O143  1  0.3864  0.5940  0.8052  1
  O  O144  1  0.3917  0.7565  0.0756  1
  O  O145  1  0.3918  0.5780  0.0897  1
  O  O146  1  0.3936  0.9058  0.7594  1
  O  O147  1  0.3970  0.2370  0.4257  1
  O  O148  1  0.4013  0.4151  0.4136  1
  O  O149  1  0.4025  0.0825  0.7497  1
  O  O150  1  0.4143  0.6090  0.6950  1
  O  O151  1  0.4164  0.7289  0.4757  1
  O  O152  1  0.4204  0.9413  0.3636  1
  O  O153  1  0.4234  0.0678  0.4206  1
  O  O154  1  0.4297  0.4030  0.8070  1
  O  O155  1  0.4309  0.7356  0.7545  1
  O  O156  1  0.4349  0.4073  0.0889  1
  O  O157  1  0.4375  0.0656  0.1432  1
  O  O158  1  0.4381  0.5893  0.4112  1
  O  O159  1  0.4384  0.9219  0.0738  1
  O  O160  1  0.4405  0.2698  0.0259  1
  O  O161  1  0.4467  0.2603  0.7504  1
  O  O162  1  0.5580  0.2651  0.5266  1
  O  O163  1  0.5589  0.0612  0.6408  1
  O  O164  1  0.5602  0.2545  0.2400  1
  O  O165  1  0.5686  0.5976  0.9151  1
  O  O166  1  0.5690  0.4057  0.5849  1
  O  O167  1  0.5694  0.7430  0.9788  1
  O  O168  1  0.5700  0.9382  0.8623  1
  O  O169  1  0.5724  0.7296  0.2488  1
  O  O170  1  0.5733  0.9279  0.5762  1
  O  O171  1  0.5742  0.0619  0.9217  1
  O  O172  1  0.5759  0.3951  0.3063  1
  O  O173  1  0.5771  0.6001  0.1940  1
  O  O174  1  0.5976  0.4168  0.9179  1
  O  O175  1  0.5997  0.5819  0.5898  1
  O  O176  1  0.6007  0.7524  0.5781  1
  O  O177  1  0.6010  0.2372  0.9259  1
  O  O178  1  0.6021  0.0897  0.2412  1
  O  O179  1  0.6028  0.9134  0.2491  1
  O  O180  1  0.6151  0.4156  0.1853  1
  O  O181  1  0.6162  0.7550  0.8581  1
  O  O182  1  0.6207  0.9203  0.9716  1
  O  O183  1  0.6234  0.0853  0.5215  1
  O  O184  1  0.6283  0.5935  0.3033  1
  O  O185  1  0.6356  0.2511  0.6457  1
  O  O186  1  0.6639  0.1677  0.4217  1
  O  O187  1  0.6664  0.8505  0.7600  1
  O  O188  1  0.6687  0.5162  0.0906  1
  O  O189  1  0.6760  0.1438  0.0251  1
  O  O190  1  0.6845  0.8218  0.3560  1
  O  O191  1  0.6861  0.4910  0.4105  1
  O  O192  1  0.6880  0.8221  0.0778  1
  O  O193  1  0.6887  0.1832  0.1441  1
  O  O194  1  0.6930  0.1486  0.7491  1
  O  O195  1  0.6991  0.8583  0.4743  1
  O  O196  1  0.6991  0.4850  0.6917  1
  O  O197  1  0.7059  0.5183  0.8133  1
  O  O198  1  0.7993  0.3149  0.8567  1
  O  O199  1  0.8028  0.0218  0.3073  1
  O  O200  1  0.8060  0.6959  0.6414  1
  O  O201  1  0.8091  0.3541  0.9759  1
  O  O202  1  0.8130  0.9839  0.9101  1
  O  O203  1  0.8134  0.6403  0.5253  1
  O  O204  1  0.8160  0.6552  0.2402  1
  O  O205  1  0.8252  0.3367  0.2489  1
  O  O206  1  0.8264  0.3225  0.5759  1
  O  O207  1  0.8268  0.9876  0.1897  1
  O  O208  1  0.8302  0.6802  0.9260  1
  O  O209  1  0.8338  0.0163  0.5905  1
  O  O210  1  0.8717  0.2427  0.3538  1
  O  O211  1  0.8747  0.4301  0.4725  1
  O  O212  1  0.8785  0.9176  0.6893  1
  O  O213  1  0.8810  0.7576  0.1383  1
  O  O214  1  0.8827  0.5854  0.0204  1
  O  O215  1  0.8915  0.2469  0.0820  1
  O  O216  1  0.8931  0.4078  0.7555  1
  O  O217  1  0.8936  0.7443  0.4173  1
  O  O218  1  0.8964  0.0878  0.8048  1
  O  O219  1  0.8998  0.9211  0.4081  1
  O  O220  1  0.9066  0.0755  0.0903  1
  O  O221  1  0.9132  0.5860  0.7503  1
  O  O222  1  0.9192  0.1009  0.6928  1
  O  O223  1  0.9206  0.4379  0.3630  1
  O  O224  1  0.9235  0.2208  0.4747  1
  O  O225  1  0.9256  0.2284  0.7511  1
  O  O226  1  0.9271  0.5661  0.4182  1
  O  O227  1  0.9279  0.7734  0.0288  1
  O  O228  1  0.9291  0.8986  0.0866  1
  O  O229  1  0.9325  0.4327  0.0802  1
  O  O230  1  0.9326  0.0844  0.4049  1
  O  O231  1  0.9359  0.9103  0.8096  1
  O  O232  1  0.9402  0.7682  0.7497  1
  O  O233  1  0.9417  0.5786  0.1399  1
]