data_[Na6Ti24Si15S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  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 [8.7020]
_cell_length_b [15.0518]
_cell_length_c [22.4594]
_cell_angle_alpha [90.0289]
_cell_angle_beta [90.0006]
_cell_angle_gamma [90.0558]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Ti8Si5S7O48]
_chemical_formula_sum '[Na6 Ti24 Si15 S21 O144]'
_cell_volume [2941.7489]
_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  0.0023  0.6666  0.6675  1
  Na  Na1  1  0.4970  0.1675  0.1682  1
  Na  Na2  1  0.5000  0.5020  0.0030  1
  Na  Na3  1  0.5002  0.1662  0.6644  1
  Na  Na4  1  0.9987  0.0014  0.5002  1
  Na  Na5  1  0.9994  0.6647  0.1660  1
  Ti  Ti6  1  0.0035  0.9999  0.3529  1
  Ti  Ti7  1  0.0042  0.9966  0.8568  1
  Ti  Ti8  1  0.0074  0.0035  0.1432  1
  Ti  Ti9  1  0.0078  0.6603  0.8106  1
  Ti  Ti10  1  0.0109  0.3460  0.1928  1
  Ti  Ti11  1  0.0114  0.9978  0.6432  1
  Ti  Ti12  1  0.4851  0.8404  0.6890  1
  Ti  Ti13  1  0.4918  0.5023  0.6425  1
  Ti  Ti14  1  0.4928  0.1617  0.3097  1
  Ti  Ti15  1  0.4958  0.5014  0.8535  1
  Ti  Ti16  1  0.4991  0.4995  0.1477  1
  Ti  Ti17  1  0.4998  0.8390  0.4726  1
  Ti  Ti18  1  0.5053  0.8386  0.1868  1
  Ti  Ti19  1  0.5096  0.1675  0.8169  1
  Ti  Ti20  1  0.5100  0.4963  0.3521  1
  Ti  Ti21  1  0.5138  0.8304  0.9836  1
  Ti  Ti22  1  0.5155  0.1610  0.0217  1
  Ti  Ti23  1  0.5158  0.1584  0.5222  1
  Ti  Ti24  1  0.9837  0.3313  0.4815  1
  Ti  Ti25  1  0.9850  0.6620  0.3136  1
  Ti  Ti26  1  0.9853  0.6569  0.0241  1
  Ti  Ti27  1  0.9868  0.6585  0.5180  1
  Ti  Ti28  1  0.9955  0.3399  0.6856  1
  Ti  Ti29  1  0.9982  0.3403  0.9754  1
  Si  Si30  1  0.1392  0.8558  0.7508  1
  Si  Si31  1  0.1494  0.4760  0.0826  1
  Si  Si32  1  0.2119  0.4968  0.7497  1
  Si  Si33  1  0.2885  0.9969  0.2497  1
  Si  Si34  1  0.3580  0.9767  0.5812  1
  Si  Si35  1  0.3607  0.3564  0.2512  1
  Si  Si36  1  0.6416  0.6875  0.0859  1
  Si  Si37  1  0.6487  0.0234  0.4141  1
  Si  Si38  1  0.6496  0.9767  0.0840  1
  Si  Si39  1  0.7018  0.6652  0.4160  1
  Si  Si40  1  0.7855  0.4997  0.2489  1
  Si  Si41  1  0.7979  0.1661  0.9174  1
  Si  Si42  1  0.8511  0.4782  0.5833  1
  Si  Si43  1  0.8520  0.5228  0.9150  1
  Si  Si44  1  0.8580  0.1890  0.5854  1
  S  S45  1  0.1432  0.8094  0.4164  1
  S  S46  1  0.1441  0.1446  0.7505  1
  S  S47  1  0.1444  0.1905  0.0831  1
  S  S48  1  0.1456  0.5211  0.4166  1
  S  S49  1  0.2121  0.1683  0.4170  1
  S  S50  1  0.2125  0.8334  0.0832  1
  S  S51  1  0.2870  0.3333  0.5830  1
  S  S52  1  0.2879  0.6683  0.9171  1
  S  S53  1  0.3558  0.6904  0.5829  1
  S  S54  1  0.3559  0.6453  0.2505  1
  S  S55  1  0.3565  0.3100  0.9172  1
  S  S56  1  0.3566  0.0219  0.9170  1
  S  S57  1  0.6422  0.3101  0.4166  1
  S  S58  1  0.6429  0.6446  0.7494  1
  S  S59  1  0.6433  0.3562  0.7500  1
  S  S60  1  0.7128  0.9998  0.7500  1
  S  S61  1  0.7134  0.3331  0.0835  1
  S  S62  1  0.7870  0.8326  0.5835  1
  S  S63  1  0.8563  0.8098  0.9165  1
  S  S64  1  0.8573  0.8563  0.2497  1
  S  S65  1  0.8575  0.1443  0.2495  1
  O  O66  1  0.0632  0.4323  0.1402  1
  O  O67  1  0.0643  0.9042  0.6926  1
  O  O68  1  0.0655  0.7581  0.7603  1
  O  O69  1  0.0723  0.5639  0.3638  1
  O  O70  1  0.0723  0.5756  0.0741  1
  O  O71  1  0.0729  0.9002  0.4100  1
  O  O72  1  0.0733  0.7706  0.4707  1
  O  O73  1  0.0735  0.4337  0.4256  1
  O  O74  1  0.0737  0.2275  0.0293  1
  O  O75  1  0.0742  0.1035  0.8040  1
  O  O76  1  0.0746  0.0999  0.0915  1
  O  O77  1  0.0765  0.2325  0.7422  1
  O  O78  1  0.1054  0.5860  0.7582  1
  O  O79  1  0.1056  0.4106  0.7391  1
  O  O80  1  0.1108  0.9206  0.8080  1
  O  O81  1  0.1114  0.0874  0.4093  1
  O  O82  1  0.1114  0.4133  0.0251  1
  O  O83  1  0.1134  0.7550  0.0752  1
  O  O84  1  0.1134  0.9130  0.0916  1
  O  O85  1  0.1135  0.2468  0.4247  1
  O  O86  1  0.1175  0.5795  0.4704  1
  O  O87  1  0.1190  0.7561  0.3628  1
  O  O88  1  0.1193  0.2431  0.1370  1
  O  O89  1  0.1213  0.0880  0.6968  1
  O  O90  1  0.1728  0.9877  0.5921  1
  O  O91  1  0.1743  0.9859  0.3078  1
  O  O92  1  0.1743  0.0146  0.1927  1
  O  O93  1  0.1769  0.3420  0.2395  1
  O  O94  1  0.1861  0.6550  0.2584  1
  O  O95  1  0.1874  0.6798  0.5767  1
  O  O96  1  0.1883  0.0151  0.9082  1
  O  O97  1  0.1893  0.3187  0.9230  1
  O  O98  1  0.1933  0.3501  0.5295  1
  O  O99  1  0.1934  0.3174  0.6370  1
  O  O100  1  0.1941  0.6510  0.9699  1
  O  O101  1  0.1943  0.6822  0.8627  1
  O  O102  1  0.3055  0.1824  0.3630  1
  O  O103  1  0.3064  0.1511  0.4703  1
  O  O104  1  0.3066  0.8172  0.1368  1
  O  O105  1  0.3073  0.8500  0.0293  1
  O  O106  1  0.3105  0.8196  0.4243  1
  O  O107  1  0.3109  0.5147  0.4095  1
  O  O108  1  0.3135  0.1788  0.0748  1
  O  O109  1  0.3152  0.1532  0.7583  1
  O  O110  1  0.3258  0.4860  0.8077  1
  O  O111  1  0.3258  0.5147  0.6926  1
  O  O112  1  0.3263  0.8441  0.7390  1
  O  O113  1  0.3318  0.4881  0.0910  1
  O  O114  1  0.3760  0.5890  0.1965  1
  O  O115  1  0.3793  0.0795  0.9697  1
  O  O116  1  0.3829  0.7443  0.6377  1
  O  O117  1  0.3833  0.2547  0.8624  1
  O  O118  1  0.3853  0.4196  0.3091  1
  O  O119  1  0.3863  0.9123  0.5255  1
  O  O120  1  0.3869  0.2550  0.5759  1
  O  O121  1  0.3869  0.7469  0.9240  1
  O  O122  1  0.3870  0.4130  0.5921  1
  O  O123  1  0.3887  0.5874  0.9088  1
  O  O124  1  0.3941  0.9107  0.2390  1
  O  O125  1  0.3946  0.0860  0.2581  1
  O  O126  1  0.4243  0.9339  0.9239  1
  O  O127  1  0.4248  0.7333  0.2415  1
  O  O128  1  0.4255  0.6051  0.3039  1
  O  O129  1  0.4263  0.0653  0.8630  1
  O  O130  1  0.4263  0.6009  0.5923  1
  O  O131  1  0.4273  0.7280  0.5301  1
  O  O132  1  0.4274  0.0770  0.5754  1
  O  O133  1  0.4275  0.2702  0.9698  1
  O  O134  1  0.4280  0.3993  0.9091  1
  O  O135  1  0.4355  0.4023  0.1921  1
  O  O136  1  0.4356  0.9311  0.6411  1
  O  O137  1  0.4361  0.2579  0.2610  1
  O  O138  1  0.5638  0.9332  0.1413  1
  O  O139  1  0.5658  0.0747  0.0744  1
  O  O140  1  0.5658  0.0715  0.3586  1
  O  O141  1  0.5662  0.7355  0.0252  1
  O  O142  1  0.5679  0.5902  0.0901  1
  O  O143  1  0.5699  0.2655  0.7577  1
  O  O144  1  0.5707  0.9273  0.4273  1
  O  O145  1  0.5719  0.3951  0.6968  1
  O  O146  1  0.5727  0.2704  0.4706  1
  O  O147  1  0.5738  0.6031  0.8033  1
  O  O148  1  0.5744  0.7328  0.7410  1
  O  O149  1  0.5752  0.3993  0.4101  1
  O  O150  1  0.5998  0.5787  0.4056  1
  O  O151  1  0.6038  0.7529  0.4304  1
  O  O152  1  0.6081  0.0797  0.7581  1
  O  O153  1  0.6085  0.2533  0.0749  1
  O  O154  1  0.6112  0.7532  0.1417  1
  O  O155  1  0.6115  0.9163  0.0250  1
  O  O156  1  0.6134  0.4119  0.0884  1
  O  O157  1  0.6146  0.9201  0.7426  1
  O  O158  1  0.6165  0.0846  0.4740  1
  O  O159  1  0.6182  0.4104  0.8041  1
  O  O160  1  0.6206  0.5875  0.6963  1
  O  O161  1  0.6207  0.2549  0.3636  1
  O  O162  1  0.6667  0.5109  0.9055  1
  O  O163  1  0.6695  0.4888  0.5969  1
  O  O164  1  0.6712  0.1823  0.5755  1
  O  O165  1  0.6757  0.1504  0.9729  1
  O  O166  1  0.6759  0.1810  0.8598  1
  O  O167  1  0.6807  0.5194  0.1912  1
  O  O168  1  0.6811  0.4852  0.3080  1
  O  O169  1  0.6869  0.8211  0.9240  1
  O  O170  1  0.6887  0.1530  0.2569  1
  O  O171  1  0.6898  0.8462  0.2435  1
  O  O172  1  0.6941  0.8478  0.5301  1
  O  O173  1  0.6946  0.8167  0.6376  1
  O  O174  1  0.8039  0.3147  0.1366  1
  O  O175  1  0.8040  0.0179  0.6965  1
  O  O176  1  0.8062  0.9860  0.8036  1
  O  O177  1  0.8063  0.3467  0.0293  1
  O  O178  1  0.8101  0.3451  0.7434  1
  O  O179  1  0.8116  0.6539  0.7570  1
  O  O180  1  0.8133  0.3199  0.4248  1
  O  O181  1  0.8223  0.6513  0.4732  1
  O  O182  1  0.8235  0.6828  0.3602  1
  O  O183  1  0.8284  0.6834  0.0751  1
  O  O184  1  0.8309  0.9891  0.0962  1
  O  O185  1  0.8338  0.0110  0.4065  1
  O  O186  1  0.8791  0.0867  0.1963  1
  O  O187  1  0.8805  0.7555  0.8629  1
  O  O188  1  0.8813  0.9115  0.3041  1
  O  O189  1  0.8829  0.5852  0.9736  1
  O  O190  1  0.8852  0.9132  0.5902  1
  O  O191  1  0.8883  0.4156  0.5253  1
  O  O192  1  0.8892  0.2523  0.6423  1
  O  O193  1  0.8913  0.7542  0.5763  1
  O  O194  1  0.8917  0.4128  0.2409  1
  O  O195  1  0.8956  0.0781  0.9026  1
  O  O196  1  0.8980  0.2527  0.9292  1
  O  O197  1  0.9005  0.5869  0.2593  1
  O  O198  1  0.9230  0.9007  0.9075  1
  O  O199  1  0.9258  0.1020  0.3035  1
  O  O200  1  0.9266  0.2314  0.2413  1
  O  O201  1  0.9276  0.8965  0.1966  1
  O  O202  1  0.9287  0.7729  0.9698  1
  O  O203  1  0.9288  0.0900  0.5936  1
  O  O204  1  0.9295  0.4263  0.9269  1
  O  O205  1  0.9303  0.7674  0.2571  1
  O  O206  1  0.9334  0.5714  0.8586  1
  O  O207  1  0.9347  0.5759  0.5749  1
  O  O208  1  0.9348  0.4334  0.6411  1
  O  O209  1  0.9354  0.2349  0.5252  1
]