data_[Na30Sc18Ta6Si21S15O144]
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
  Ta  1.5000  1.4500  0.8200
  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 [9.0600]
_cell_length_b [15.7077]
_cell_length_c [22.8245]
_cell_angle_alpha [90.0464]
_cell_angle_beta [90.0187]
_cell_angle_gamma [90.0069]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Sc6Ta2Si7S5O48]
_chemical_formula_sum '[Na30 Sc18 Ta6 Si21 S15 O144]'
_cell_volume [3248.1950]
_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  0.0047  0.0041  1
  Na  Na1  1  0.0052  0.3237  0.8371  1
  Na  Na2  1  0.0052  0.6627  0.1676  1
  Na  Na3  1  0.0059  0.0029  0.5021  1
  Na  Na4  1  0.1463  0.8332  0.5796  1
  Na  Na5  1  0.1772  0.8397  0.9188  1
  Na  Na6  1  0.1830  0.4845  0.9275  1
  Na  Na7  1  0.1846  0.1842  0.2544  1
  Na  Na8  1  0.1946  0.1503  0.5834  1
  Na  Na9  1  0.1948  0.5157  0.5795  1
  Na  Na10  1  0.3155  0.6834  0.7545  1
  Na  Na11  1  0.3176  0.9836  0.4268  1
  Na  Na12  1  0.3207  0.3418  0.4216  1
  Na  Na13  1  0.3530  0.3355  0.0807  1
  Na  Na14  1  0.4863  0.5119  0.0053  1
  Na  Na15  1  0.4916  0.8225  0.3377  1
  Na  Na16  1  0.4945  0.1624  0.6697  1
  Na  Na17  1  0.4975  0.1599  0.1682  1
  Na  Na18  1  0.5057  0.5138  0.5051  1
  Na  Na19  1  0.5142  0.8329  0.8382  1
  Na  Na20  1  0.6144  0.3335  0.5842  1
  Na  Na21  1  0.6769  0.3366  0.9152  1
  Na  Na22  1  0.6795  0.3135  0.2527  1
  Na  Na23  1  0.6975  0.6817  0.2528  1
  Na  Na24  1  0.8024  0.1845  0.7539  1
  Na  Na25  1  0.8206  0.8128  0.7532  1
  Na  Na26  1  0.8239  0.8358  0.4152  1
  Na  Na27  1  0.8283  0.1493  0.0794  1
  Na  Na28  1  0.9843  0.3330  0.3390  1
  Na  Na29  1  0.9852  0.6650  0.6681  1
  Sc  Sc30  1  0.0032  0.3307  0.4780  1
  Sc  Sc31  1  0.0044  0.3348  0.6875  1
  Sc  Sc32  1  0.0189  0.6676  0.0201  1
  Sc  Sc33  1  0.0195  0.3231  0.9818  1
  Sc  Sc34  1  0.4814  0.8217  0.4816  1
  Sc  Sc35  1  0.4840  0.1679  0.5190  1
  Sc  Sc36  1  0.4945  0.1700  0.0129  1
  Sc  Sc37  1  0.4959  0.5006  0.1491  1
  Sc  Sc38  1  0.5060  0.1739  0.8139  1
  Sc  Sc39  1  0.5062  0.1754  0.3158  1
  Sc  Sc40  1  0.5080  0.5001  0.6481  1
  Sc  Sc41  1  0.5081  0.8356  0.1869  1
  Sc  Sc42  1  0.5084  0.8277  0.9781  1
  Sc  Sc43  1  0.9940  0.6733  0.5131  1
  Sc  Sc44  1  0.9940  0.6734  0.3135  1
  Sc  Sc45  1  0.9943  0.9974  0.1488  1
  Sc  Sc46  1  0.9949  0.6752  0.8163  1
  Sc  Sc47  1  0.9989  0.9960  0.6502  1
  Ta  Ta48  1  0.0153  0.3377  0.1892  1
  Ta  Ta49  1  0.4866  0.8366  0.6892  1
  Ta  Ta50  1  0.5084  0.5020  0.8505  1
  Ta  Ta51  1  0.5158  0.4955  0.3537  1
  Ta  Ta52  1  0.9840  0.9958  0.8540  1
  Ta  Ta53  1  0.9928  0.0014  0.3499  1
  Si  Si54  1  0.1448  0.4837  0.0812  1
  Si  Si55  1  0.1453  0.8555  0.7506  1
  Si  Si56  1  0.1485  0.8161  0.4145  1
  Si  Si57  1  0.1514  0.1813  0.0862  1
  Si  Si58  1  0.2031  0.1648  0.4137  1
  Si  Si59  1  0.2912  0.3348  0.5825  1
  Si  Si60  1  0.2949  0.6652  0.9134  1
  Si  Si61  1  0.3475  0.6831  0.5862  1
  Si  Si62  1  0.3519  0.3160  0.9144  1
  Si  Si63  1  0.3550  0.9818  0.5816  1
  Si  Si64  1  0.3564  0.3565  0.2499  1
  Si  Si65  1  0.6514  0.6461  0.7472  1
  Si  Si66  1  0.6522  0.3533  0.7466  1
  Si  Si67  1  0.6525  0.3136  0.4185  1
  Si  Si68  1  0.7032  0.6674  0.4152  1
  Si  Si69  1  0.7033  0.0013  0.7466  1
  Si  Si70  1  0.7957  0.5010  0.2458  1
  Si  Si71  1  0.7961  0.1674  0.9177  1
  Si  Si72  1  0.8490  0.1458  0.2453  1
  Si  Si73  1  0.8508  0.8532  0.2480  1
  Si  Si74  1  0.8518  0.8122  0.9178  1
  S  S75  1  0.1430  0.1430  0.7500  1
  S  S76  1  0.1510  0.5211  0.4157  1
  S  S77  1  0.2101  0.4983  0.7517  1
  S  S78  1  0.2127  0.8349  0.0833  1
  S  S79  1  0.2887  0.9973  0.2511  1
  S  S80  1  0.3483  0.0196  0.9154  1
  S  S81  1  0.3563  0.6443  0.2506  1
  S  S82  1  0.6428  0.9794  0.0828  1
  S  S83  1  0.6467  0.6875  0.0842  1
  S  S84  1  0.6513  0.0220  0.4159  1
  S  S85  1  0.7119  0.3342  0.0837  1
  S  S86  1  0.7881  0.8338  0.5839  1
  S  S87  1  0.8496  0.5223  0.9162  1
  S  S88  1  0.8552  0.1872  0.5840  1
  S  S89  1  0.8588  0.4788  0.5828  1
  O  O90  1  0.0637  0.9115  0.4050  1
  O  O91  1  0.0641  0.5759  0.0823  1
  O  O92  1  0.0661  0.2274  0.7479  1
  O  O93  1  0.0678  0.7816  0.4753  1
  O  O94  1  0.0691  0.2266  0.0308  1
  O  O95  1  0.0720  0.0888  0.0904  1
  O  O96  1  0.0728  0.8960  0.6925  1
  O  O97  1  0.0749  0.0973  0.8010  1
  O  O98  1  0.0778  0.4262  0.1391  1
  O  O99  1  0.0810  0.7587  0.7546  1
  O  O100  1  0.0880  0.5634  0.3643  1
  O  O101  1  0.0893  0.4333  0.4199  1
  O  O102  1  0.0997  0.0778  0.4049  1
  O  O103  1  0.1076  0.2464  0.1438  1
  O  O104  1  0.1079  0.2524  0.4201  1
  O  O105  1  0.1109  0.9153  0.8085  1
  O  O106  1  0.1127  0.7537  0.3609  1
  O  O107  1  0.1145  0.0966  0.6947  1
  O  O108  1  0.1160  0.4247  0.0234  1
  O  O109  1  0.1180  0.5751  0.7590  1
  O  O110  1  0.1184  0.9116  0.0876  1
  O  O111  1  0.1190  0.4206  0.7489  1
  O  O112  1  0.1194  0.7565  0.0813  1
  O  O113  1  0.1253  0.5696  0.4710  1
  O  O114  1  0.1646  0.6798  0.5837  1
  O  O115  1  0.1730  0.3470  0.2458  1
  O  O116  1  0.1734  0.9918  0.5890  1
  O  O117  1  0.1765  0.3388  0.9175  1
  O  O118  1  0.1768  0.3201  0.6375  1
  O  O119  1  0.1827  0.0095  0.9094  1
  O  O120  1  0.1895  0.3488  0.5240  1
  O  O121  1  0.1896  0.6399  0.9690  1
  O  O122  1  0.1932  0.9866  0.3054  1
  O  O123  1  0.1944  0.0124  0.1997  1
  O  O124  1  0.1966  0.6538  0.2577  1
  O  O125  1  0.1989  0.6802  0.8540  1
  O  O126  1  0.2989  0.1410  0.4729  1
  O  O127  1  0.2999  0.5110  0.6984  1
  O  O128  1  0.3008  0.8424  0.0285  1
  O  O129  1  0.3032  0.1525  0.7569  1
  O  O130  1  0.3058  0.1764  0.3558  1
  O  O131  1  0.3090  0.4888  0.8048  1
  O  O132  1  0.3117  0.8276  0.1350  1
  O  O133  1  0.3163  0.5104  0.4099  1
  O  O134  1  0.3239  0.8392  0.4170  1
  O  O135  1  0.3256  0.4859  0.0889  1
  O  O136  1  0.3287  0.8465  0.7462  1
  O  O137  1  0.3323  0.1840  0.0825  1
  O  O138  1  0.3739  0.0718  0.9685  1
  O  O139  1  0.3784  0.9193  0.2464  1
  O  O140  1  0.3805  0.9235  0.5237  1
  O  O141  1  0.3821  0.0738  0.2586  1
  O  O142  1  0.3845  0.5949  0.1968  1
  O  O143  1  0.3863  0.2532  0.8608  1
  O  O144  1  0.3891  0.7532  0.9233  1
  O  O145  1  0.3893  0.4159  0.3082  1
  O  O146  1  0.3918  0.7478  0.6433  1
  O  O147  1  0.3953  0.2483  0.5802  1
  O  O148  1  0.3988  0.4183  0.5865  1
  O  O149  1  0.3995  0.5786  0.9052  1
  O  O150  1  0.4064  0.9313  0.9233  1
  O  O151  1  0.4112  0.5873  0.5913  1
  O  O152  1  0.4129  0.0578  0.8627  1
  O  O153  1  0.4179  0.7281  0.5290  1
  O  O154  1  0.4192  0.2592  0.2545  1
  O  O155  1  0.4220  0.9256  0.6392  1
  O  O156  1  0.4266  0.6015  0.3025  1
  O  O157  1  0.4293  0.0760  0.5826  1
  O  O158  1  0.4302  0.3975  0.1924  1
  O  O159  1  0.4316  0.7293  0.2459  1
  O  O160  1  0.4319  0.2794  0.9747  1
  O  O161  1  0.4367  0.4113  0.9051  1
  O  O162  1  0.5614  0.4083  0.4090  1
  O  O163  1  0.5685  0.2732  0.4753  1
  O  O164  1  0.5692  0.5989  0.8049  1
  O  O165  1  0.5693  0.7414  0.7427  1
  O  O166  1  0.5756  0.6023  0.0870  1
  O  O167  1  0.5785  0.0668  0.0806  1
  O  O168  1  0.5799  0.2583  0.7531  1
  O  O169  1  0.5820  0.7318  0.0326  1
  O  O170  1  0.5851  0.9369  0.1364  1
  O  O171  1  0.5859  0.0614  0.3635  1
  O  O172  1  0.5867  0.3965  0.6881  1
  O  O173  1  0.5898  0.5845  0.4047  1
  O  O174  1  0.5934  0.9345  0.4219  1
  O  O175  1  0.5981  0.0820  0.7561  1
  O  O176  1  0.6049  0.9289  0.0305  1
  O  O177  1  0.6057  0.4164  0.8044  1
  O  O178  1  0.6086  0.5890  0.6922  1
  O  O179  1  0.6106  0.4083  0.0887  1
  O  O180  1  0.6117  0.7570  0.4219  1
  O  O181  1  0.6121  0.7370  0.1387  1
  O  O182  1  0.6195  0.9082  0.7409  1
  O  O183  1  0.6202  0.2626  0.3575  1
  O  O184  1  0.6209  0.2540  0.0821  1
  O  O185  1  0.6299  0.0738  0.4689  1
  O  O186  1  0.6684  0.8423  0.2454  1
  O  O187  1  0.6734  0.1600  0.2538  1
  O  O188  1  0.6767  0.8319  0.9241  1
  O  O189  1  0.6814  0.4844  0.3047  1
  O  O190  1  0.6820  0.5186  0.1931  1
  O  O191  1  0.6824  0.5120  0.9085  1
  O  O192  1  0.6935  0.1788  0.5772  1
  O  O193  1  0.6937  0.8264  0.6375  1
  O  O194  1  0.6942  0.1791  0.8594  1
  O  O195  1  0.6954  0.4872  0.5868  1
  O  O196  1  0.6998  0.1488  0.9776  1
  O  O197  1  0.7003  0.8435  0.5301  1
  O  O198  1  0.7996  0.3440  0.0298  1
  O  O199  1  0.8014  0.6803  0.3561  1
  O  O200  1  0.8072  0.6483  0.4724  1
  O  O201  1  0.8073  0.9877  0.0853  1
  O  O202  1  0.8082  0.3247  0.1368  1
  O  O203  1  0.8085  0.6810  0.0787  1
  O  O204  1  0.8160  0.0191  0.6935  1
  O  O205  1  0.8186  0.0122  0.4085  1
  O  O206  1  0.8186  0.9848  0.8049  1
  O  O207  1  0.8262  0.3335  0.4238  1
  O  O208  1  0.8271  0.6611  0.7544  1
  O  O209  1  0.8331  0.3406  0.7474  1
  O  O210  1  0.8702  0.5742  0.9692  1
  O  O211  1  0.8771  0.7639  0.8554  1
  O  O212  1  0.8799  0.2379  0.6388  1
  O  O213  1  0.8807  0.4080  0.2404  1
  O  O214  1  0.8842  0.7564  0.5824  1
  O  O215  1  0.8869  0.0918  0.1876  1
  O  O216  1  0.8871  0.4254  0.5307  1
  O  O217  1  0.8880  0.9097  0.5884  1
  O  O218  1  0.8881  0.2571  0.9227  1
  O  O219  1  0.8896  0.9145  0.3070  1
  O  O220  1  0.9015  0.5813  0.2559  1
  O  O221  1  0.9072  0.4346  0.9220  1
  O  O222  1  0.9092  0.0845  0.9051  1
  O  O223  1  0.9150  0.5615  0.8637  1
  O  O224  1  0.9181  0.7576  0.2530  1
  O  O225  1  0.9200  0.4375  0.6364  1
  O  O226  1  0.9222  0.2306  0.5328  1
  O  O227  1  0.9223  0.9015  0.1933  1
  O  O228  1  0.9301  0.1030  0.5880  1
  O  O229  1  0.9315  0.2409  0.2424  1
  O  O230  1  0.9323  0.5631  0.5782  1
  O  O231  1  0.9324  0.0962  0.3019  1
  O  O232  1  0.9382  0.9085  0.9093  1
  O  O233  1  0.9413  0.7694  0.9716  1
]