data_[Na18Ti24Si21S15O144]
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 [8.7632]
_cell_length_b [15.2400]
_cell_length_c [22.4779]
_cell_angle_alpha [90.0405]
_cell_angle_beta [90.0206]
_cell_angle_gamma [90.0255]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Ti8Si7S5O48]
_chemical_formula_sum '[Na18 Ti24 Si21 S15 O144]'
_cell_volume [3001.9593]
_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  0.0013  0.9974  0.0015  1
  Na  Na1  1  0.0022  0.3328  0.6689  1
  Na  Na2  1  0.0025  0.3320  0.1662  1
  Na  Na3  1  0.0030  0.6708  0.3302  1
  Na  Na4  1  0.1413  0.4981  0.7526  1
  Na  Na5  1  0.3584  0.9994  0.2493  1
  Na  Na6  1  0.4958  0.8318  0.6690  1
  Na  Na7  1  0.4973  0.1720  0.8313  1
  Na  Na8  1  0.4979  0.8337  0.1652  1
  Na  Na9  1  0.4984  0.4971  0.5026  1
  Na  Na10  1  0.5018  0.4979  0.9962  1
  Na  Na11  1  0.5028  0.1724  0.3343  1
  Na  Na12  1  0.6317  0.0004  0.7490  1
  Na  Na13  1  0.6403  0.6652  0.0829  1
  Na  Na14  1  0.8615  0.1655  0.5845  1
  Na  Na15  1  0.8697  0.5003  0.2482  1
  Na  Na16  1  0.9958  0.9983  0.4983  1
  Na  Na17  1  0.9983  0.6693  0.8371  1
  Ti  Ti18  1  0.0013  0.6658  0.4803  1
  Ti  Ti19  1  0.0039  0.9985  0.8461  1
  Ti  Ti20  1  0.0040  0.9988  0.3549  1
  Ti  Ti21  1  0.0092  0.6643  0.6906  1
  Ti  Ti22  1  0.0228  0.9963  0.1442  1
  Ti  Ti23  1  0.4775  0.4963  0.6462  1
  Ti  Ti24  1  0.4851  0.4968  0.8597  1
  Ti  Ti25  1  0.4897  0.1673  0.1873  1
  Ti  Ti26  1  0.4959  0.4973  0.3458  1
  Ti  Ti27  1  0.4996  0.1661  0.9792  1
  Ti  Ti28  1  0.5029  0.8246  0.8080  1
  Ti  Ti29  1  0.5061  0.4987  0.1517  1
  Ti  Ti30  1  0.5066  0.8323  0.0222  1
  Ti  Ti31  1  0.5068  0.8245  0.3111  1
  Ti  Ti32  1  0.5105  0.1680  0.6917  1
  Ti  Ti33  1  0.5172  0.8398  0.5201  1
  Ti  Ti34  1  0.5228  0.1708  0.4820  1
  Ti  Ti35  1  0.9785  0.6640  0.9783  1
  Ti  Ti36  1  0.9900  0.6679  0.1891  1
  Ti  Ti37  1  0.9908  0.3452  0.0171  1
  Ti  Ti38  1  0.9938  0.9992  0.6532  1
  Ti  Ti39  1  0.9938  0.3326  0.5228  1
  Ti  Ti40  1  0.9955  0.3322  0.8150  1
  Ti  Ti41  1  0.9959  0.3249  0.3072  1
  Si  Si42  1  0.1389  0.1417  0.2493  1
  Si  Si43  1  0.1397  0.4803  0.9160  1
  Si  Si44  1  0.1419  0.5224  0.5828  1
  Si  Si45  1  0.1428  0.8536  0.2516  1
  Si  Si46  1  0.2104  0.5001  0.2486  1
  Si  Si47  1  0.2896  0.9997  0.7489  1
  Si  Si48  1  0.3557  0.3536  0.7522  1
  Si  Si49  1  0.3603  0.0225  0.0822  1
  Si  Si50  1  0.3638  0.6414  0.7500  1
  Si  Si51  1  0.6401  0.6890  0.9161  1
  Si  Si52  1  0.6403  0.3149  0.5853  1
  Si  Si53  1  0.6409  0.3517  0.2497  1
  Si  Si54  1  0.6418  0.6442  0.2501  1
  Si  Si55  1  0.6455  0.0215  0.5851  1
  Si  Si56  1  0.7074  0.3324  0.9157  1
  Si  Si57  1  0.7950  0.8324  0.4153  1
  Si  Si58  1  0.8548  0.5199  0.0850  1
  Si  Si59  1  0.8584  0.8520  0.7503  1
  Si  Si60  1  0.8595  0.1889  0.4162  1
  Si  Si61  1  0.8616  0.1481  0.7510  1
  Si  Si62  1  0.8622  0.8129  0.0828  1
  S  S63  1  0.1426  0.1881  0.9181  1
  S  S64  1  0.1450  0.8106  0.5827  1
  S  S65  1  0.2119  0.8343  0.9169  1
  S  S66  1  0.2155  0.1657  0.5825  1
  S  S67  1  0.2847  0.6656  0.0823  1
  S  S68  1  0.2880  0.3336  0.4169  1
  S  S69  1  0.3547  0.3106  0.0826  1
  S  S70  1  0.3570  0.6883  0.4178  1
  S  S71  1  0.3570  0.9781  0.4168  1
  S  S72  1  0.6459  0.9779  0.9171  1
  S  S73  1  0.7122  0.6669  0.5831  1
  S  S74  1  0.7145  0.0003  0.2496  1
  S  S75  1  0.7836  0.5001  0.7500  1
  S  S76  1  0.7885  0.1668  0.0836  1
  S  S77  1  0.8541  0.4781  0.4171  1
  O  O78  1  0.0624  0.0979  0.1910  1
  O  O79  1  0.0656  0.9029  0.3087  1
  O  O80  1  0.0656  0.5690  0.6414  1
  O  O81  1  0.0668  0.4323  0.8571  1
  O  O82  1  0.0696  0.4251  0.5721  1
  O  O83  1  0.0697  0.5775  0.9255  1
  O  O84  1  0.0716  0.7578  0.2417  1
  O  O85  1  0.0729  0.2406  0.2574  1
  O  O86  1  0.0740  0.7689  0.5286  1
  O  O87  1  0.0746  0.0992  0.9115  1
  O  O88  1  0.0751  0.8983  0.5878  1
  O  O89  1  0.0773  0.2285  0.9716  1
  O  O90  1  0.1006  0.4154  0.2607  1
  O  O91  1  0.1024  0.5859  0.2428  1
  O  O92  1  0.1048  0.5871  0.5256  1
  O  O93  1  0.1109  0.0882  0.5871  1
  O  O94  1  0.1116  0.2456  0.5766  1
  O  O95  1  0.1127  0.4155  0.9740  1
  O  O96  1  0.1132  0.9147  0.9116  1
  O  O97  1  0.1168  0.7553  0.9226  1
  O  O98  1  0.1171  0.7560  0.6362  1
  O  O99  1  0.1190  0.0791  0.3075  1
  O  O100  1  0.1212  0.2417  0.8636  1
  O  O101  1  0.1221  0.9193  0.1937  1
  O  O102  1  0.1695  0.3491  0.7576  1
  O  O103  1  0.1744  0.6521  0.7401  1
  O  O104  1  0.1750  0.0157  0.0885  1
  O  O105  1  0.1786  0.9829  0.6912  1
  O  O106  1  0.1800  0.0164  0.8075  1
  O  O107  1  0.1866  0.6803  0.4234  1
  O  O108  1  0.1878  0.3158  0.0775  1
  O  O109  1  0.1883  0.9850  0.4127  1
  O  O110  1  0.1930  0.3480  0.4709  1
  O  O111  1  0.1938  0.3216  0.3632  1
  O  O112  1  0.1949  0.6530  0.0291  1
  O  O113  1  0.1954  0.6811  0.1371  1
  O  O114  1  0.3047  0.1810  0.6360  1
  O  O115  1  0.3071  0.1532  0.5279  1
  O  O116  1  0.3076  0.8228  0.8631  1
  O  O117  1  0.3082  0.8489  0.9708  1
  O  O118  1  0.3127  0.8176  0.5749  1
  O  O119  1  0.3139  0.1794  0.9239  1
  O  O120  1  0.3202  0.5159  0.3077  1
  O  O121  1  0.3220  0.4828  0.1916  1
  O  O122  1  0.3242  0.4860  0.9117  1
  O  O123  1  0.3268  0.5156  0.5881  1
  O  O124  1  0.3276  0.1513  0.2412  1
  O  O125  1  0.3304  0.8508  0.2615  1
  O  O126  1  0.3783  0.5793  0.8071  1
  O  O127  1  0.3801  0.7428  0.3632  1
  O  O128  1  0.3804  0.4184  0.6931  1
  O  O129  1  0.3840  0.2531  0.4230  1
  O  O130  1  0.3850  0.9213  0.4702  1
  O  O131  1  0.3858  0.2556  0.1369  1
  O  O132  1  0.3885  0.4132  0.4119  1
  O  O133  1  0.3892  0.7456  0.0777  1
  O  O134  1  0.3897  0.5882  0.0883  1
  O  O135  1  0.3945  0.0874  0.0258  1
  O  O136  1  0.3968  0.0859  0.7423  1
  O  O137  1  0.4001  0.9158  0.7599  1
  O  O138  1  0.4222  0.7313  0.4709  1
  O  O139  1  0.4232  0.9384  0.3625  1
  O  O140  1  0.4235  0.0667  0.4239  1
  O  O141  1  0.4254  0.3980  0.0888  1
  O  O142  1  0.4258  0.2694  0.0293  1
  O  O143  1  0.4263  0.6003  0.4119  1
  O  O144  1  0.4273  0.7412  0.7565  1
  O  O145  1  0.4298  0.2581  0.7402  1
  O  O146  1  0.4306  0.9247  0.0733  1
  O  O147  1  0.4332  0.0688  0.1421  1
  O  O148  1  0.4363  0.4015  0.8080  1
  O  O149  1  0.4367  0.5990  0.6901  1
  O  O150  1  0.5648  0.9238  0.5744  1
  O  O151  1  0.5649  0.3991  0.3082  1
  O  O152  1  0.5653  0.7416  0.2575  1
  O  O153  1  0.5664  0.6023  0.1903  1
  O  O154  1  0.5675  0.2669  0.5256  1
  O  O155  1  0.5677  0.7375  0.9756  1
  O  O156  1  0.5681  0.0637  0.6434  1
  O  O157  1  0.5692  0.5925  0.9082  1
  O  O158  1  0.5695  0.2550  0.2398  1
  O  O159  1  0.5737  0.4130  0.5913  1
  O  O160  1  0.5753  0.0677  0.9249  1
  O  O161  1  0.5772  0.9420  0.8626  1
  O  O162  1  0.6015  0.2443  0.9279  1
  O  O163  1  0.6065  0.4192  0.9093  1
  O  O164  1  0.6073  0.9228  0.2575  1
  O  O165  1  0.6084  0.7545  0.8595  1
  O  O166  1  0.6107  0.7461  0.5748  1
  O  O167  1  0.6109  0.0789  0.2445  1
  O  O168  1  0.6132  0.0845  0.5264  1
  O  O169  1  0.6150  0.9232  0.9703  1
  O  O170  1  0.6156  0.5809  0.3081  1
  O  O171  1  0.6174  0.5880  0.5876  1
  O  O172  1  0.6195  0.2461  0.6398  1
  O  O173  1  0.6199  0.4182  0.1931  1
  O  O174  1  0.6674  0.5137  0.0899  1
  O  O175  1  0.6712  0.1794  0.4230  1
  O  O176  1  0.6721  0.8188  0.0748  1
  O  O177  1  0.6737  0.8494  0.7577  1
  O  O178  1  0.6758  0.8179  0.3597  1
  O  O179  1  0.6761  0.1511  0.7446  1
  O  O180  1  0.6795  0.8464  0.4735  1
  O  O181  1  0.6862  0.4881  0.4129  1
  O  O182  1  0.6890  0.1547  0.0297  1
  O  O183  1  0.6911  0.1819  0.1370  1
  O  O184  1  0.6946  0.4866  0.6948  1
  O  O185  1  0.6974  0.5158  0.8030  1
  O  O186  1  0.8031  0.9847  0.1964  1
  O  O187  1  0.8049  0.0150  0.3043  1
  O  O188  1  0.8055  0.6841  0.6362  1
  O  O189  1  0.8103  0.6558  0.5290  1
  O  O190  1  0.8137  0.9880  0.9129  1
  O  O191  1  0.8189  0.3456  0.9742  1
  O  O192  1  0.8204  0.3140  0.8590  1
  O  O193  1  0.8255  0.6520  0.2451  1
  O  O194  1  0.8258  0.3494  0.2580  1
  O  O195  1  0.8261  0.6829  0.9224  1
  O  O196  1  0.8283  0.3188  0.5744  1
  O  O197  1  0.8324  0.0133  0.5880  1
  O  O198  1  0.8799  0.9177  0.6929  1
  O  O199  1  0.8802  0.0864  0.0889  1
  O  O200  1  0.8818  0.7472  0.1402  1
  O  O201  1  0.8822  0.5842  0.0273  1
  O  O202  1  0.8839  0.0804  0.8073  1
  O  O203  1  0.8851  0.4229  0.4703  1
  O  O204  1  0.8879  0.2446  0.0767  1
  O  O205  1  0.8899  0.2537  0.3595  1
  O  O206  1  0.8899  0.5795  0.7429  1
  O  O207  1  0.8902  0.4227  0.7543  1
  O  O208  1  0.8970  0.9200  0.4092  1
  O  O209  1  0.8978  0.7443  0.4273  1
  O  O210  1  0.9230  0.4420  0.3627  1
  O  O211  1  0.9247  0.5680  0.4251  1
  O  O212  1  0.9260  0.9118  0.0928  1
  O  O213  1  0.9299  0.5652  0.1438  1
  O  O214  1  0.9307  0.7558  0.7389  1
  O  O215  1  0.9311  0.2364  0.4758  1
  O  O216  1  0.9318  0.1015  0.6905  1
  O  O217  1  0.9328  0.0917  0.4078  1
  O  O218  1  0.9334  0.4225  0.0776  1
  O  O219  1  0.9355  0.8992  0.8083  1
  O  O220  1  0.9359  0.7655  0.0250  1
  O  O221  1  0.9361  0.2440  0.7572  1
]