data_[Na6Mg6Si9Sn18S27O144]
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
  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 [8.7920]
_cell_length_b [15.2099]
_cell_length_c [22.9021]
_cell_angle_alpha [90.3213]
_cell_angle_beta [90.0237]
_cell_angle_gamma [90.0396]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Mg2Si3Sn6(S3O16)3]
_chemical_formula_sum '[Na6 Mg6 Si9 Sn18 S27 O144]'
_cell_volume [3062.5394]
_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  0.4993  0.8344  0.1640  1
  Na  Na1  1  0.5039  0.8312  0.6651  1
  Na  Na2  1  0.5085  0.5000  0.0014  1
  Na  Na3  1  0.9912  0.0013  0.5046  1
  Na  Na4  1  0.9964  0.3299  0.1636  1
  Na  Na5  1  0.9981  0.3282  0.6675  1
  Mg  Mg6  1  0.0050  0.0043  0.3514  1
  Mg  Mg7  1  0.4951  0.5027  0.8496  1
  Mg  Mg8  1  0.4995  0.8341  0.0168  1
  Mg  Mg9  1  0.5075  0.4996  0.1443  1
  Mg  Mg10  1  0.9879  0.0055  0.6468  1
  Mg  Mg11  1  0.9997  0.3322  0.5203  1
  Si  Si12  1  0.1482  0.1876  0.9181  1
  Si  Si13  1  0.1494  0.1440  0.2525  1
  Si  Si14  1  0.3511  0.6887  0.4178  1
  Si  Si15  1  0.3515  0.6438  0.7526  1
  Si  Si16  1  0.6512  0.0200  0.5826  1
  Si  Si17  1  0.7148  0.6642  0.5839  1
  Si  Si18  1  0.7847  0.1658  0.0833  1
  Si  Si19  1  0.8502  0.5201  0.0821  1
  Si  Si20  1  0.8561  0.1453  0.7473  1
  Sn  Sn21  1  0.0004  0.6631  0.1843  1
  Sn  Sn22  1  0.0016  0.3267  0.3154  1
  Sn  Sn23  1  0.0016  0.6661  0.4809  1
  Sn  Sn24  1  0.0033  0.3261  0.8147  1
  Sn  Sn25  1  0.4960  0.8332  0.3186  1
  Sn  Sn26  1  0.4979  0.1672  0.1864  1
  Sn  Sn27  1  0.4980  0.8293  0.8138  1
  Sn  Sn28  1  0.4987  0.5027  0.3553  1
  Sn  Sn29  1  0.5018  0.1656  0.9778  1
  Sn  Sn30  1  0.5035  0.5082  0.6475  1
  Sn  Sn31  1  0.5037  0.1648  0.4830  1
  Sn  Sn32  1  0.5078  0.8286  0.5231  1
  Sn  Sn33  1  0.5092  0.1603  0.6882  1
  Sn  Sn34  1  0.9912  0.3290  0.0210  1
  Sn  Sn35  1  0.9962  0.6638  0.9788  1
  Sn  Sn36  1  0.9967  0.0093  0.8523  1
  Sn  Sn37  1  0.9974  0.0097  0.1457  1
  Sn  Sn38  1  0.9998  0.6677  0.6883  1
  S  S39  1  0.1432  0.8543  0.2492  1
  S  S40  1  0.1437  0.8149  0.5839  1
  S  S41  1  0.1451  0.5176  0.5834  1
  S  S42  1  0.1482  0.4781  0.9165  1
  S  S43  1  0.2067  0.8339  0.9180  1
  S  S44  1  0.2085  0.1678  0.5841  1
  S  S45  1  0.2107  0.5003  0.2489  1
  S  S46  1  0.2885  0.9996  0.7490  1
  S  S47  1  0.2921  0.3322  0.4187  1
  S  S48  1  0.2940  0.6680  0.0830  1
  S  S49  1  0.3508  0.9801  0.4179  1
  S  S50  1  0.3555  0.3144  0.0833  1
  S  S51  1  0.3555  0.0175  0.0829  1
  S  S52  1  0.3575  0.3553  0.7493  1
  S  S53  1  0.6438  0.3575  0.2501  1
  S  S54  1  0.6440  0.6874  0.9184  1
  S  S55  1  0.6453  0.6458  0.2488  1
  S  S56  1  0.6455  0.9753  0.9170  1
  S  S57  1  0.6461  0.3139  0.5840  1
  S  S58  1  0.7048  0.3365  0.9160  1
  S  S59  1  0.7093  0.9983  0.2518  1
  S  S60  1  0.7907  0.4990  0.7520  1
  S  S61  1  0.7956  0.8357  0.4164  1
  S  S62  1  0.8536  0.8135  0.0837  1
  S  S63  1  0.8539  0.1872  0.4191  1
  S  S64  1  0.8567  0.4758  0.4170  1
  S  S65  1  0.8569  0.8570  0.7505  1
  O  O66  1  0.0677  0.2318  0.9749  1
  O  O67  1  0.0696  0.1073  0.1922  1
  O  O68  1  0.0704  0.2453  0.2549  1
  O  O69  1  0.0723  0.4413  0.8638  1
  O  O70  1  0.0735  0.4312  0.5750  1
  O  O71  1  0.0743  0.5576  0.6358  1
  O  O72  1  0.0749  0.0901  0.9112  1
  O  O73  1  0.0753  0.7754  0.5299  1
  O  O74  1  0.0758  0.7636  0.2408  1
  O  O75  1  0.0763  0.9015  0.5910  1
  O  O76  1  0.0768  0.8914  0.3015  1
  O  O77  1  0.0774  0.5678  0.9226  1
  O  O78  1  0.1080  0.9101  0.9086  1
  O  O79  1  0.1089  0.4223  0.2570  1
  O  O80  1  0.1094  0.7525  0.9253  1
  O  O81  1  0.1138  0.2468  0.5758  1
  O  O82  1  0.1147  0.5811  0.2446  1
  O  O83  1  0.1196  0.0870  0.5889  1
  O  O84  1  0.1197  0.4251  0.9698  1
  O  O85  1  0.1200  0.0861  0.3081  1
  O  O86  1  0.1207  0.9068  0.1952  1
  O  O87  1  0.1241  0.7579  0.6355  1
  O  O88  1  0.1261  0.5738  0.5307  1
  O  O89  1  0.1309  0.2492  0.8607  1
  O  O90  1  0.1686  0.6769  0.4259  1
  O  O91  1  0.1689  0.6573  0.7406  1
  O  O92  1  0.1859  0.9864  0.4104  1
  O  O93  1  0.1871  0.3495  0.7540  1
  O  O94  1  0.1884  0.3221  0.0777  1
  O  O95  1  0.1886  0.0075  0.0906  1
  O  O96  1  0.1956  0.3481  0.4689  1
  O  O97  1  0.1968  0.9819  0.6973  1
  O  O98  1  0.1973  0.6528  0.0303  1
  O  O99  1  0.1991  0.6871  0.1369  1
  O  O100  1  0.2011  0.0116  0.8040  1
  O  O101  1  0.2023  0.3164  0.3637  1
  O  O102  1  0.2988  0.8155  0.8646  1
  O  O103  1  0.3017  0.5146  0.3033  1
  O  O104  1  0.3026  0.8477  0.9695  1
  O  O105  1  0.3028  0.1533  0.5289  1
  O  O106  1  0.3048  0.4856  0.1976  1
  O  O107  1  0.3052  0.1861  0.6361  1
  O  O108  1  0.3112  0.8212  0.5772  1
  O  O109  1  0.3113  0.5081  0.5903  1
  O  O110  1  0.3133  0.4866  0.9108  1
  O  O111  1  0.3150  0.8451  0.2536  1
  O  O112  1  0.3318  0.1778  0.9266  1
  O  O113  1  0.3321  0.1577  0.2407  1
  O  O114  1  0.3725  0.7466  0.3576  1
  O  O115  1  0.3750  0.0737  0.0315  1
  O  O116  1  0.3753  0.2588  0.1363  1
  O  O117  1  0.3799  0.5867  0.8085  1
  O  O118  1  0.3801  0.9245  0.4688  1
  O  O119  1  0.3803  0.4089  0.6949  1
  O  O120  1  0.3819  0.0799  0.7445  1
  O  O121  1  0.3830  0.5879  0.0912  1
  O  O122  1  0.3889  0.7468  0.0763  1
  O  O123  1  0.3905  0.2530  0.4248  1
  O  O124  1  0.3907  0.4104  0.4092  1
  O  O125  1  0.3927  0.9212  0.7568  1
  O  O126  1  0.4202  0.2660  0.7402  1
  O  O127  1  0.4218  0.0687  0.4230  1
  O  O128  1  0.4235  0.4014  0.0914  1
  O  O129  1  0.4251  0.2749  0.0308  1
  O  O130  1  0.4252  0.0566  0.1366  1
  O  O131  1  0.4255  0.3931  0.8014  1
  O  O132  1  0.4262  0.9304  0.0760  1
  O  O133  1  0.4267  0.9440  0.3633  1
  O  O134  1  0.4300  0.7449  0.7552  1
  O  O135  1  0.4302  0.6077  0.6920  1
  O  O136  1  0.4305  0.5924  0.4083  1
  O  O137  1  0.4336  0.7334  0.4730  1
  O  O138  1  0.5581  0.0605  0.6383  1
  O  O139  1  0.5588  0.9261  0.5751  1
  O  O140  1  0.5721  0.9371  0.8627  1
  O  O141  1  0.5723  0.4005  0.5918  1
  O  O142  1  0.5728  0.2772  0.5297  1
  O  O143  1  0.5739  0.6062  0.1980  1
  O  O144  1  0.5748  0.3960  0.3052  1
  O  O145  1  0.5762  0.0635  0.9218  1
  O  O146  1  0.5762  0.7364  0.2557  1
  O  O147  1  0.5769  0.7297  0.9700  1
  O  O148  1  0.5772  0.2690  0.2458  1
  O  O149  1  0.5798  0.5994  0.9110  1
  O  O150  1  0.6055  0.9165  0.2569  1
  O  O151  1  0.6075  0.4140  0.9090  1
  O  O152  1  0.6080  0.7510  0.5801  1
  O  O153  1  0.6119  0.0756  0.2437  1
  O  O154  1  0.6126  0.5760  0.5888  1
  O  O155  1  0.6136  0.2556  0.9232  1
  O  O156  1  0.6161  0.9217  0.9686  1
  O  O157  1  0.6185  0.4113  0.1993  1
  O  O158  1  0.6217  0.2583  0.6355  1
  O  O159  1  0.6251  0.7427  0.8649  1
  O  O160  1  0.6253  0.5928  0.3027  1
  O  O161  1  0.6268  0.0813  0.5236  1
  O  O162  1  0.6707  0.5116  0.0891  1
  O  O163  1  0.6712  0.1598  0.7448  1
  O  O164  1  0.6812  0.1495  0.0254  1
  O  O165  1  0.6837  0.1844  0.1429  1
  O  O166  1  0.6842  0.1821  0.4230  1
  O  O167  1  0.6864  0.8483  0.7579  1
  O  O168  1  0.6886  0.8218  0.0766  1
  O  O169  1  0.6891  0.4838  0.4077  1
  O  O170  1  0.6969  0.5119  0.8031  1
  O  O171  1  0.6998  0.8527  0.4678  1
  O  O172  1  0.7005  0.8179  0.3622  1
  O  O173  1  0.7024  0.4790  0.6973  1
  O  O174  1  0.7973  0.9778  0.1977  1
  O  O175  1  0.7980  0.3536  0.9694  1
  O  O176  1  0.8001  0.3199  0.8639  1
  O  O177  1  0.8019  0.0101  0.3035  1
  O  O178  1  0.8113  0.3225  0.5754  1
  O  O179  1  0.8113  0.9815  0.9098  1
  O  O180  1  0.8133  0.6573  0.2435  1
  O  O181  1  0.8133  0.3496  0.2581  1
  O  O182  1  0.8148  0.6823  0.9229  1
  O  O183  1  0.8161  0.6490  0.5243  1
  O  O184  1  0.8181  0.6841  0.6418  1
  O  O185  1  0.8303  0.0081  0.5866  1
  O  O186  1  0.8703  0.0876  0.8077  1
  O  O187  1  0.8726  0.2424  0.3643  1
  O  O188  1  0.8759  0.7578  0.1374  1
  O  O189  1  0.8778  0.5838  0.0254  1
  O  O190  1  0.8808  0.9088  0.6986  1
  O  O191  1  0.8817  0.4217  0.4676  1
  O  O192  1  0.8854  0.0766  0.0886  1
  O  O193  1  0.8859  0.5781  0.7435  1
  O  O194  1  0.8866  0.7551  0.4225  1
  O  O195  1  0.8913  0.9135  0.4077  1
  O  O196  1  0.8925  0.2522  0.0804  1
  O  O197  1  0.8942  0.4209  0.7574  1
  O  O198  1  0.9198  0.0997  0.4105  1
  O  O199  1  0.9218  0.7675  0.7459  1
  O  O200  1  0.9239  0.2302  0.4692  1
  O  O201  1  0.9239  0.5642  0.4212  1
  O  O202  1  0.9255  0.8934  0.8054  1
  O  O203  1  0.9276  0.4374  0.3616  1
  O  O204  1  0.9276  0.7753  0.0313  1
  O  O205  1  0.9285  0.8995  0.0929  1
  O  O206  1  0.9295  0.2464  0.7541  1
  O  O207  1  0.9362  0.5605  0.1414  1
  O  O208  1  0.9379  0.1049  0.6926  1
  O  O209  1  0.9406  0.4265  0.0756  1
]