data_[Na30Sc12Ti12Si21S15O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  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 [9.0121]
_cell_length_b [15.5654]
_cell_length_c [22.4526]
_cell_angle_alpha [91.8072]
_cell_angle_beta [90.0198]
_cell_angle_gamma [90.1045]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Sc4Ti4Si7S5O48]
_chemical_formula_sum '[Na30 Sc12 Ti12 Si21 S15 O144]'
_cell_volume [3148.0273]
_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  0.0029  0.9907  0.0027  1
  Na  Na1  1  0.0080  0.3264  0.6658  1
  Na  Na2  1  0.1344  0.1723  0.5892  1
  Na  Na3  1  0.1360  0.5057  0.2529  1
  Na  Na4  1  0.1382  0.8409  0.9215  1
  Na  Na5  1  0.1832  0.1473  0.9107  1
  Na  Na6  1  0.1840  0.8148  0.2428  1
  Na  Na7  1  0.1844  0.5117  0.9151  1
  Na  Na8  1  0.3158  0.3144  0.7452  1
  Na  Na9  1  0.3166  0.6479  0.4102  1
  Na  Na10  1  0.3171  0.0137  0.4138  1
  Na  Na11  1  0.4788  0.4872  0.4979  1
  Na  Na12  1  0.4901  0.8243  0.1610  1
  Na  Na13  1  0.4904  0.1658  0.3320  1
  Na  Na14  1  0.4967  0.8248  0.6690  1
  Na  Na15  1  0.4994  0.1570  0.8268  1
  Na  Na16  1  0.5198  0.4892  0.9969  1
  Na  Na17  1  0.6367  0.0063  0.2532  1
  Na  Na18  1  0.6839  0.0095  0.9147  1
  Na  Na19  1  0.6846  0.3147  0.2434  1
  Na  Na20  1  0.6852  0.9812  0.5795  1
  Na  Na21  1  0.6861  0.3445  0.5814  1
  Na  Na22  1  0.8157  0.8151  0.7460  1
  Na  Na23  1  0.8166  0.1472  0.4118  1
  Na  Na24  1  0.8189  0.5107  0.4142  1
  Na  Na25  1  0.8611  0.5060  0.7568  1
  Na  Na26  1  0.9906  0.9800  0.4985  1
  Na  Na27  1  0.9909  0.6650  0.3293  1
  Na  Na28  1  0.9911  0.3245  0.1612  1
  Na  Na29  1  0.9921  0.6595  0.8325  1
  Sc  Sc30  1  0.0018  0.0021  0.8502  1
  Sc  Sc31  1  0.0096  0.6667  0.1843  1
  Sc  Sc32  1  0.0100  0.3402  0.5196  1
  Sc  Sc33  1  0.4893  0.8398  0.0193  1
  Sc  Sc34  1  0.4966  0.4988  0.3518  1
  Sc  Sc35  1  0.4982  0.1657  0.6865  1
  Sc  Sc36  1  0.5082  0.8363  0.5180  1
  Sc  Sc37  1  0.5089  0.1668  0.1845  1
  Sc  Sc38  1  0.5094  0.5038  0.8545  1
  Sc  Sc39  1  0.9891  0.3419  0.0198  1
  Sc  Sc40  1  0.9929  0.6678  0.6864  1
  Sc  Sc41  1  0.9953  0.9994  0.3525  1
  Ti  Ti42  1  0.0075  0.6762  0.4778  1
  Ti  Ti43  1  0.0227  0.0015  0.1474  1
  Ti  Ti44  1  0.0247  0.3370  0.8131  1
  Ti  Ti45  1  0.4759  0.8378  0.3123  1
  Ti  Ti46  1  0.4765  0.5037  0.6494  1
  Ti  Ti47  1  0.4948  0.1784  0.9781  1
  Ti  Ti48  1  0.5211  0.5018  0.1475  1
  Ti  Ti49  1  0.5230  0.1743  0.4798  1
  Ti  Ti50  1  0.5235  0.8404  0.8120  1
  Ti  Ti51  1  0.9770  0.3382  0.3129  1
  Ti  Ti52  1  0.9793  0.0034  0.6484  1
  Ti  Ti53  1  0.9821  0.6735  0.9781  1
  Si  Si54  1  0.1417  0.1476  0.7519  1
  Si  Si55  1  0.1441  0.8142  0.0855  1
  Si  Si56  1  0.1458  0.4810  0.4170  1
  Si  Si57  1  0.2053  0.5030  0.7545  1
  Si  Si58  1  0.2062  0.8355  0.4190  1
  Si  Si59  1  0.2934  0.0036  0.2533  1
  Si  Si60  1  0.2934  0.3359  0.9200  1
  Si  Si61  1  0.3567  0.9807  0.9173  1
  Si  Si62  1  0.3588  0.3147  0.5861  1
  Si  Si63  1  0.3628  0.6464  0.2510  1
  Si  Si64  1  0.6378  0.6471  0.7500  1
  Si  Si65  1  0.6439  0.9807  0.4181  1
  Si  Si66  1  0.6455  0.3161  0.0873  1
  Si  Si67  1  0.7024  0.0038  0.7529  1
  Si  Si68  1  0.7038  0.3357  0.4199  1
  Si  Si69  1  0.7912  0.8334  0.9183  1
  Si  Si70  1  0.7940  0.5035  0.2530  1
  Si  Si71  1  0.7951  0.1676  0.5843  1
  Si  Si72  1  0.8550  0.8139  0.5867  1
  Si  Si73  1  0.8554  0.4805  0.9170  1
  Si  Si74  1  0.8628  0.1463  0.2508  1
  S  S75  1  0.1494  0.1903  0.4162  1
  S  S76  1  0.1524  0.8554  0.7483  1
  S  S77  1  0.1543  0.5208  0.0827  1
  S  S78  1  0.2099  0.1653  0.0824  1
  S  S79  1  0.2908  0.6652  0.5820  1
  S  S80  1  0.3498  0.0201  0.5811  1
  S  S81  1  0.3501  0.3545  0.2477  1
  S  S82  1  0.3516  0.6899  0.9170  1
  S  S83  1  0.6478  0.3563  0.7480  1
  S  S84  1  0.6514  0.6900  0.4160  1
  S  S85  1  0.6530  0.0209  0.0821  1
  S  S86  1  0.7096  0.6653  0.0837  1
  S  S87  1  0.8482  0.5228  0.5822  1
  S  S88  1  0.8495  0.1909  0.9170  1
  S  S89  1  0.8503  0.8546  0.2480  1
  O  O90  1  0.0556  0.5756  0.4247  1
  O  O91  1  0.0557  0.2430  0.7567  1
  O  O92  1  0.0601  0.9105  0.0904  1
  O  O93  1  0.0669  0.4326  0.3568  1
  O  O94  1  0.0676  0.7603  0.0263  1
  O  O95  1  0.0712  0.0937  0.6923  1
  O  O96  1  0.0797  0.1030  0.4108  1
  O  O97  1  0.0821  0.7688  0.7423  1
  O  O98  1  0.0863  0.8921  0.8047  1
  O  O99  1  0.0865  0.2277  0.4718  1
  O  O100  1  0.0882  0.4338  0.0804  1
  O  O101  1  0.0892  0.5798  0.7444  1
  O  O102  1  0.0918  0.5620  0.1379  1
  O  O103  1  0.1052  0.7632  0.1451  1
  O  O104  1  0.1061  0.9201  0.4136  1
  O  O105  1  0.1070  0.4106  0.7549  1
  O  O106  1  0.1085  0.7440  0.4243  1
  O  O107  1  0.1122  0.2397  0.0785  1
  O  O108  1  0.1141  0.0944  0.8115  1
  O  O109  1  0.1146  0.4227  0.4728  1
  O  O110  1  0.1148  0.9092  0.6974  1
  O  O111  1  0.1151  0.5713  0.0299  1
  O  O112  1  0.1161  0.2425  0.3643  1
  O  O113  1  0.1183  0.0837  0.0860  1
  O  O114  1  0.1787  0.9971  0.9112  1
  O  O115  1  0.1815  0.3232  0.5780  1
  O  O116  1  0.1816  0.9832  0.1947  1
  O  O117  1  0.1817  0.3425  0.9745  1
  O  O118  1  0.1834  0.6631  0.2436  1
  O  O119  1  0.1837  0.6819  0.9217  1
  O  O120  1  0.1859  0.0138  0.5871  1
  O  O121  1  0.1866  0.3494  0.2539  1
  O  O122  1  0.1914  0.3154  0.8571  1
  O  O123  1  0.1961  0.6751  0.6347  1
  O  O124  1  0.1977  0.0114  0.3133  1
  O  O125  1  0.1991  0.6533  0.5258  1
  O  O126  1  0.3014  0.1531  0.0264  1
  O  O127  1  0.3024  0.5115  0.8136  1
  O  O128  1  0.3043  0.1742  0.1352  1
  O  O129  1  0.3080  0.8163  0.3565  1
  O  O130  1  0.3127  0.1771  0.4212  1
  O  O131  1  0.3139  0.8462  0.7534  1
  O  O132  1  0.3172  0.1695  0.7457  1
  O  O133  1  0.3174  0.4847  0.6946  1
  O  O134  1  0.3180  0.8437  0.4738  1
  O  O135  1  0.3183  0.5151  0.0873  1
  O  O136  1  0.3209  0.5038  0.4124  1
  O  O137  1  0.3222  0.8249  0.0805  1
  O  O138  1  0.3723  0.9171  0.9721  1
  O  O139  1  0.3771  0.5893  0.3099  1
  O  O140  1  0.3791  0.0708  0.5269  1
  O  O141  1  0.3795  0.7424  0.8644  1
  O  O142  1  0.3808  0.4095  0.1961  1
  O  O143  1  0.3809  0.5837  0.5856  1
  O  O144  1  0.3814  0.2599  0.6452  1
  O  O145  1  0.3886  0.7398  0.5777  1
  O  O146  1  0.3920  0.2441  0.9253  1
  O  O147  1  0.3933  0.9115  0.2558  1
  O  O148  1  0.3937  0.4200  0.9134  1
  O  O149  1  0.4100  0.0805  0.2443  1
  O  O150  1  0.4111  0.6019  0.9119  1
  O  O151  1  0.4126  0.7292  0.9717  1
  O  O152  1  0.4146  0.2677  0.2414  1
  O  O153  1  0.4174  0.0623  0.6339  1
  O  O154  1  0.4179  0.9338  0.5774  1
  O  O155  1  0.4200  0.3920  0.3024  1
  O  O156  1  0.4339  0.5904  0.1938  1
  O  O157  1  0.4395  0.9292  0.8597  1
  O  O158  1  0.4414  0.7426  0.2565  1
  O  O159  1  0.4427  0.2601  0.5288  1
  O  O160  1  0.4436  0.0744  0.9256  1
  O  O161  1  0.4484  0.4083  0.5899  1
  O  O162  1  0.5513  0.0740  0.4218  1
  O  O163  1  0.5585  0.7419  0.7554  1
  O  O164  1  0.5603  0.4113  0.0910  1
  O  O165  1  0.5648  0.5922  0.6908  1
  O  O166  1  0.5669  0.9272  0.3595  1
  O  O167  1  0.5670  0.2598  0.0288  1
  O  O168  1  0.5799  0.2705  0.7430  1
  O  O169  1  0.5801  0.3972  0.8011  1
  O  O170  1  0.5837  0.6026  0.4111  1
  O  O171  1  0.5860  0.9342  0.0794  1
  O  O172  1  0.5877  0.7288  0.4704  1
  O  O173  1  0.5919  0.0622  0.1373  1
  O  O174  1  0.5961  0.0844  0.7457  1
  O  O175  1  0.6049  0.4208  0.4131  1
  O  O176  1  0.6061  0.2643  0.1465  1
  O  O177  1  0.6094  0.2435  0.4213  1
  O  O178  1  0.6097  0.9099  0.7542  1
  O  O179  1  0.6132  0.7403  0.0782  1
  O  O180  1  0.6142  0.0713  0.0291  1
  O  O181  1  0.6161  0.9272  0.4775  1
  O  O182  1  0.6186  0.5840  0.0865  1
  O  O183  1  0.6188  0.4083  0.6937  1
  O  O184  1  0.6233  0.7410  0.3634  1
  O  O185  1  0.6248  0.5822  0.8038  1
  O  O186  1  0.6772  0.8312  0.5807  1
  O  O187  1  0.6805  0.4976  0.9119  1
  O  O188  1  0.6810  0.4839  0.1948  1
  O  O189  1  0.6811  0.1819  0.6377  1
  O  O190  1  0.6817  0.8483  0.9732  1
  O  O191  1  0.6834  0.1627  0.2431  1
  O  O192  1  0.6842  0.5136  0.5857  1
  O  O193  1  0.6842  0.1773  0.9235  1
  O  O194  1  0.6865  0.8496  0.2540  1
  O  O195  1  0.6917  0.1500  0.5218  1
  O  O196  1  0.6928  0.8194  0.8552  1
  O  O197  1  0.6984  0.5121  0.3131  1
  O  O198  1  0.8008  0.0085  0.8129  1
  O  O199  1  0.8017  0.6749  0.1368  1
  O  O200  1  0.8045  0.6531  0.0285  1
  O  O201  1  0.8057  0.3461  0.4783  1
  O  O202  1  0.8117  0.3506  0.7533  1
  O  O203  1  0.8121  0.3194  0.3586  1
  O  O204  1  0.8135  0.9857  0.6927  1
  O  O205  1  0.8161  0.6769  0.4224  1
  O  O206  1  0.8173  0.0149  0.0863  1
  O  O207  1  0.8176  0.6634  0.7430  1
  O  O208  1  0.8197  0.0014  0.4131  1
  O  O209  1  0.8226  0.3253  0.0813  1
  O  O210  1  0.8765  0.0887  0.3095  1
  O  O211  1  0.8771  0.2408  0.8640  1
  O  O212  1  0.8810  0.9094  0.1961  1
  O  O213  1  0.8866  0.5720  0.5287  1
  O  O214  1  0.8878  0.4231  0.9733  1
  O  O215  1  0.8895  0.7605  0.6450  1
  O  O216  1  0.8929  0.4112  0.2556  1
  O  O217  1  0.8947  0.0780  0.5894  1
  O  O218  1  0.8973  0.7451  0.9234  1
  O  O219  1  0.9046  0.2493  0.5788  1
  O  O220  1  0.9052  0.9144  0.9128  1
  O  O221  1  0.9093  0.5637  0.6368  1
  O  O222  1  0.9101  0.5807  0.2443  1
  O  O223  1  0.9129  0.4347  0.5801  1
  O  O224  1  0.9148  0.1021  0.9122  1
  O  O225  1  0.9148  0.7678  0.2416  1
  O  O226  1  0.9149  0.2296  0.9711  1
  O  O227  1  0.9199  0.8922  0.3026  1
  O  O228  1  0.9301  0.7575  0.5279  1
  O  O229  1  0.9346  0.0898  0.1936  1
  O  O230  1  0.9368  0.9094  0.5897  1
  O  O231  1  0.9378  0.4327  0.8569  1
  O  O232  1  0.9408  0.2426  0.2567  1
  O  O233  1  0.9489  0.5741  0.9263  1
]