data_[Na6Al12Si9Sn12S27O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  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 [8.6204]
_cell_length_b [14.8243]
_cell_length_c [22.4634]
_cell_angle_alpha [90.3323]
_cell_angle_beta [90.3005]
_cell_angle_gamma [90.0509]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Al4Si3Sn4(S3O16)3]
_chemical_formula_sum '[Na6 Al12 Si9 Sn12 S27 O144]'
_cell_volume [2870.5186]
_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  0.0099  0.9957  0.5000  1
  Na  Na1  1  0.4914  0.4966  0.9957  1
  Na  Na2  1  0.5010  0.8210  0.6638  1
  Na  Na3  1  0.5032  0.8286  0.1666  1
  Na  Na4  1  0.9948  0.3298  0.1596  1
  Na  Na5  1  0.9967  0.3315  0.6682  1
  Al  Al6  1  0.0097  0.9960  0.3571  1
  Al  Al7  1  0.4704  0.5022  0.8524  1
  Al  Al8  1  0.4938  0.8324  0.5228  1
  Al  Al9  1  0.5018  0.5041  0.1495  1
  Al  Al10  1  0.5039  0.8350  0.0151  1
  Al  Al11  1  0.5056  0.1665  0.6919  1
  Al  Al12  1  0.5170  0.1702  0.1824  1
  Al  Al13  1  0.9915  0.6672  0.6895  1
  Al  Al14  1  0.9915  0.6643  0.1900  1
  Al  Al15  1  0.9941  0.3385  0.5204  1
  Al  Al16  1  0.9977  0.0029  0.6511  1
  Al  Al17  1  0.9982  0.3317  0.0177  1
  Si  Si18  1  0.1516  0.4702  0.9202  1
  Si  Si19  1  0.3384  0.6450  0.7516  1
  Si  Si20  1  0.3512  0.9718  0.4191  1
  Si  Si21  1  0.6436  0.9741  0.9189  1
  Si  Si22  1  0.6490  0.6463  0.2452  1
  Si  Si23  1  0.7102  0.6742  0.5859  1
  Si  Si24  1  0.7947  0.1761  0.0846  1
  Si  Si25  1  0.8516  0.1459  0.7449  1
  Si  Si26  1  0.8568  0.4768  0.4204  1
  Sn  Sn27  1  0.0028  0.6596  0.9787  1
  Sn  Sn28  1  0.4982  0.1603  0.4808  1
  Sn  Sn29  1  0.4996  0.8335  0.8120  1
  Sn  Sn30  1  0.5015  0.8310  0.3154  1
  Sn  Sn31  1  0.5054  0.5122  0.6461  1
  Sn  Sn32  1  0.5126  0.1623  0.9781  1
  Sn  Sn33  1  0.5166  0.5051  0.3556  1
  Sn  Sn34  1  0.9833  0.0042  0.8545  1
  Sn  Sn35  1  0.9902  0.6630  0.4816  1
  Sn  Sn36  1  0.9935  0.0042  0.1440  1
  Sn  Sn37  1  0.9982  0.3329  0.8137  1
  Sn  Sn38  1  0.9983  0.3374  0.3155  1
  S  S39  1  0.1368  0.8550  0.2487  1
  S  S40  1  0.1424  0.5163  0.5843  1
  S  S41  1  0.1445  0.8165  0.5858  1
  S  S42  1  0.1463  0.1895  0.9204  1
  S  S43  1  0.1537  0.1450  0.2520  1
  S  S44  1  0.2050  0.1674  0.5860  1
  S  S45  1  0.2118  0.8349  0.9197  1
  S  S46  1  0.2128  0.5016  0.2460  1
  S  S47  1  0.2862  0.0043  0.7459  1
  S  S48  1  0.2879  0.3340  0.4192  1
  S  S49  1  0.2936  0.6671  0.0868  1
  S  S50  1  0.3517  0.6896  0.4206  1
  S  S51  1  0.3566  0.3143  0.0871  1
  S  S52  1  0.3607  0.0187  0.0858  1
  S  S53  1  0.3628  0.3539  0.7480  1
  S  S54  1  0.6372  0.3510  0.2460  1
  S  S55  1  0.6401  0.6861  0.9195  1
  S  S56  1  0.6471  0.3083  0.5843  1
  S  S57  1  0.6490  0.0210  0.5869  1
  S  S58  1  0.7075  0.3389  0.9172  1
  S  S59  1  0.7112  0.0048  0.2518  1
  S  S60  1  0.7862  0.5024  0.7520  1
  S  S61  1  0.7939  0.8379  0.4174  1
  S  S62  1  0.8507  0.5212  0.0868  1
  S  S63  1  0.8517  0.8064  0.0839  1
  S  S64  1  0.8602  0.1860  0.4181  1
  S  S65  1  0.8625  0.8543  0.7460  1
  O  O66  1  0.0659  0.8981  0.3013  1
  O  O67  1  0.0673  0.4252  0.5763  1
  O  O68  1  0.0687  0.7660  0.2383  1
  O  O69  1  0.0695  0.4357  0.8585  1
  O  O70  1  0.0695  0.5586  0.6363  1
  O  O71  1  0.0697  0.2310  0.9716  1
  O  O72  1  0.0721  0.9080  0.5943  1
  O  O73  1  0.0747  0.5715  0.9238  1
  O  O74  1  0.0749  0.1102  0.1971  1
  O  O75  1  0.0759  0.7815  0.5287  1
  O  O76  1  0.0792  0.2381  0.2574  1
  O  O77  1  0.0834  0.0972  0.9147  1
  O  O78  1  0.1048  0.7575  0.9268  1
  O  O79  1  0.1070  0.2494  0.5767  1
  O  O80  1  0.1083  0.0851  0.5917  1
  O  O81  1  0.1103  0.4107  0.9782  1
  O  O82  1  0.1125  0.4173  0.2488  1
  O  O83  1  0.1162  0.5815  0.2360  1
  O  O84  1  0.1173  0.7574  0.6369  1
  O  O85  1  0.1185  0.0896  0.3043  1
  O  O86  1  0.1185  0.9129  0.1941  1
  O  O87  1  0.1243  0.9192  0.9126  1
  O  O88  1  0.1265  0.2395  0.8639  1
  O  O89  1  0.1300  0.5715  0.5296  1
  O  O90  1  0.1576  0.6552  0.7356  1
  O  O91  1  0.1641  0.9844  0.4085  1
  O  O92  1  0.1830  0.6851  0.4280  1
  O  O93  1  0.1834  0.9855  0.6944  1
  O  O94  1  0.1875  0.3235  0.0810  1
  O  O95  1  0.1875  0.3439  0.4714  1
  O  O96  1  0.1913  0.0049  0.0930  1
  O  O97  1  0.1914  0.3452  0.7535  1
  O  O98  1  0.1915  0.6824  0.1384  1
  O  O99  1  0.2011  0.3105  0.3627  1
  O  O100  1  0.2014  0.0168  0.8029  1
  O  O101  1  0.2023  0.6506  0.0310  1
  O  O102  1  0.2951  0.1504  0.5298  1
  O  O103  1  0.2969  0.5138  0.3032  1
  O  O104  1  0.2994  0.8131  0.8651  1
  O  O105  1  0.3076  0.8471  0.2539  1
  O  O106  1  0.3082  0.1831  0.6372  1
  O  O107  1  0.3100  0.4995  0.5904  1
  O  O108  1  0.3110  0.8442  0.9735  1
  O  O109  1  0.3149  0.8257  0.5786  1
  O  O110  1  0.3151  0.4836  0.1947  1
  O  O111  1  0.3159  0.1856  0.9283  1
  O  O112  1  0.3201  0.1543  0.2417  1
  O  O113  1  0.3389  0.4799  0.9123  1
  O  O114  1  0.3702  0.7387  0.3631  1
  O  O115  1  0.3730  0.0743  0.0319  1
  O  O116  1  0.3743  0.4184  0.4105  1
  O  O117  1  0.3797  0.0853  0.7358  1
  O  O118  1  0.3829  0.5847  0.8088  1
  O  O119  1  0.3836  0.4094  0.6935  1
  O  O120  1  0.3848  0.2541  0.1391  1
  O  O121  1  0.3880  0.9231  0.7490  1
  O  O122  1  0.3895  0.5841  0.0925  1
  O  O123  1  0.3907  0.9102  0.4762  1
  O  O124  1  0.3925  0.7487  0.0781  1
  O  O125  1  0.3947  0.2569  0.4257  1
  O  O126  1  0.4159  0.5975  0.4146  1
  O  O127  1  0.4244  0.7465  0.7553  1
  O  O128  1  0.4264  0.2784  0.0315  1
  O  O129  1  0.4269  0.0734  0.4236  1
  O  O130  1  0.4286  0.2637  0.7384  1
  O  O131  1  0.4290  0.0634  0.1393  1
  O  O132  1  0.4304  0.4055  0.0968  1
  O  O133  1  0.4309  0.7322  0.4711  1
  O  O134  1  0.4309  0.9373  0.3567  1
  O  O135  1  0.4310  0.6124  0.6920  1
  O  O136  1  0.4333  0.9282  0.0786  1
  O  O137  1  0.4335  0.3938  0.8021  1
  O  O138  1  0.5570  0.0715  0.9189  1
  O  O139  1  0.5608  0.5980  0.1901  1
  O  O140  1  0.5636  0.7472  0.2517  1
  O  O141  1  0.5642  0.2623  0.2384  1
  O  O142  1  0.5651  0.7277  0.9728  1
  O  O143  1  0.5663  0.9354  0.8568  1
  O  O144  1  0.5711  0.0668  0.6365  1
  O  O145  1  0.5723  0.9335  0.5775  1
  O  O146  1  0.5724  0.3871  0.3023  1
  O  O147  1  0.5753  0.5952  0.9125  1
  O  O148  1  0.5765  0.2717  0.5274  1
  O  O149  1  0.5773  0.3980  0.5909  1
  O  O150  1  0.5989  0.2620  0.9233  1
  O  O151  1  0.5996  0.7628  0.5745  1
  O  O152  1  0.6080  0.5813  0.5862  1
  O  O153  1  0.6085  0.9127  0.9762  1
  O  O154  1  0.6109  0.4108  0.1947  1
  O  O155  1  0.6111  0.9234  0.2554  1
  O  O156  1  0.6145  0.0851  0.2422  1
  O  O157  1  0.6149  0.2499  0.6351  1
  O  O158  1  0.6187  0.4225  0.9085  1
  O  O159  1  0.6222  0.7399  0.8649  1
  O  O160  1  0.6268  0.5913  0.3075  1
  O  O161  1  0.6404  0.0771  0.5308  1
  O  O162  1  0.6679  0.4775  0.4167  1
  O  O163  1  0.6692  0.1567  0.7350  1
  O  O164  1  0.6804  0.5092  0.0947  1
  O  O165  1  0.6804  0.8137  0.0776  1
  O  O166  1  0.6876  0.1880  0.1431  1
  O  O167  1  0.6890  0.5114  0.8047  1
  O  O168  1  0.6901  0.8487  0.7500  1
  O  O169  1  0.6905  0.1805  0.4253  1
  O  O170  1  0.6937  0.1507  0.0263  1
  O  O171  1  0.6956  0.8522  0.4695  1
  O  O172  1  0.6967  0.4774  0.6967  1
  O  O173  1  0.7066  0.8155  0.3616  1
  O  O174  1  0.7974  0.3148  0.8631  1
  O  O175  1  0.8027  0.6529  0.5245  1
  O  O176  1  0.8044  0.9825  0.1971  1
  O  O177  1  0.8062  0.3501  0.9707  1
  O  O178  1  0.8109  0.6825  0.9273  1
  O  O179  1  0.8118  0.3406  0.2500  1
  O  O180  1  0.8136  0.0165  0.3041  1
  O  O181  1  0.8189  0.0087  0.5946  1
  O  O182  1  0.8192  0.3139  0.5771  1
  O  O183  1  0.8258  0.6851  0.6428  1
  O  O184  1  0.8311  0.6576  0.2350  1
  O  O185  1  0.8322  0.9785  0.9162  1
  O  O186  1  0.8608  0.5780  0.0318  1
  O  O187  1  0.8728  0.0920  0.8077  1
  O  O188  1  0.8780  0.2385  0.3618  1
  O  O189  1  0.8802  0.5839  0.7431  1
  O  O190  1  0.8836  0.9228  0.4075  1
  O  O191  1  0.8863  0.7509  0.1361  1
  O  O192  1  0.8919  0.4221  0.7546  1
  O  O193  1  0.8925  0.9128  0.6947  1
  O  O194  1  0.8939  0.4102  0.4746  1
  O  O195  1  0.9016  0.0851  0.0893  1
  O  O196  1  0.9037  0.7628  0.4232  1
  O  O197  1  0.9049  0.2633  0.0732  1
  O  O198  1  0.9226  0.7695  0.0285  1
  O  O199  1  0.9230  0.8970  0.0899  1
  O  O200  1  0.9264  0.4337  0.0784  1
  O  O201  1  0.9276  0.0953  0.4086  1
  O  O202  1  0.9287  0.5666  0.1374  1
  O  O203  1  0.9302  0.7647  0.7391  1
  O  O204  1  0.9316  0.4428  0.3560  1
  O  O205  1  0.9325  0.8890  0.8026  1
  O  O206  1  0.9369  0.2268  0.4706  1
  O  O207  1  0.9370  0.2463  0.7515  1
  O  O208  1  0.9390  0.0984  0.6898  1
  O  O209  1  0.9412  0.5742  0.4204  1
]