data_[Na42Ta6In18Si27S9O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  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 [9.2384]
_cell_length_b [15.9878]
_cell_length_c [22.6828]
_cell_angle_alpha [89.8104]
_cell_angle_beta [89.9566]
_cell_angle_gamma [89.9562]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Ta2In6Si9(SO16)3]
_chemical_formula_sum '[Na42 Ta6 In18 Si27 S9 O144]'
_cell_volume [3350.2539]
_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  0.0006  0.3327  0.8357  1
  Na  Na1  1  0.0023  0.6653  0.6666  1
  Na  Na2  1  0.0032  0.9954  0.4969  1
  Na  Na3  1  0.0081  0.6565  0.1776  1
  Na  Na4  1  0.1257  0.8376  0.5736  1
  Na  Na5  1  0.1427  0.1726  0.9160  1
  Na  Na6  1  0.1700  0.4819  0.9212  1
  Na  Na7  1  0.1712  0.5188  0.5848  1
  Na  Na8  1  0.1802  0.8126  0.2570  1
  Na  Na9  1  0.1870  0.8440  0.9156  1
  Na  Na10  1  0.1914  0.1425  0.5839  1
  Na  Na11  1  0.3076  0.6418  0.0873  1
  Na  Na12  1  0.3130  0.3417  0.4119  1
  Na  Na13  1  0.3181  0.3107  0.7564  1
  Na  Na14  1  0.3248  0.9824  0.4145  1
  Na  Na15  1  0.3269  0.0192  0.0898  1
  Na  Na16  1  0.3532  0.6750  0.4124  1
  Na  Na17  1  0.3731  0.3358  0.0780  1
  Na  Na18  1  0.4918  0.1560  0.6761  1
  Na  Na19  1  0.4966  0.4953  0.0049  1
  Na  Na20  1  0.4991  0.8351  0.3344  1
  Na  Na21  1  0.5005  0.8356  0.8397  1
  Na  Na22  1  0.5100  0.1643  0.1723  1
  Na  Na23  1  0.5108  0.4977  0.4970  1
  Na  Na24  1  0.6270  0.0051  0.2529  1
  Na  Na25  1  0.6391  0.3371  0.5792  1
  Na  Na26  1  0.6435  0.6706  0.9159  1
  Na  Na27  1  0.6693  0.9860  0.9193  1
  Na  Na28  1  0.6845  0.0141  0.5790  1
  Na  Na29  1  0.6916  0.3427  0.9201  1
  Na  Na30  1  0.6923  0.6868  0.2564  1
  Na  Na31  1  0.6982  0.6477  0.5771  1
  Na  Na32  1  0.8032  0.1456  0.0868  1
  Na  Na33  1  0.8083  0.1856  0.7564  1
  Na  Na34  1  0.8141  0.8468  0.4153  1
  Na  Na35  1  0.8175  0.5122  0.0840  1
  Na  Na36  1  0.8312  0.4856  0.4158  1
  Na  Na37  1  0.8581  0.1696  0.4108  1
  Na  Na38  1  0.8635  0.8391  0.0838  1
  Na  Na39  1  0.8800  0.4985  0.7546  1
  Na  Na40  1  0.9886  0.9990  0.0022  1
  Na  Na41  1  0.9982  0.3311  0.3362  1
  Ta  Ta42  1  0.0014  0.0026  0.3497  1
  Ta  Ta43  1  0.4924  0.4942  0.8544  1
  Ta  Ta44  1  0.5047  0.5033  0.3522  1
  Ta  Ta45  1  0.5118  0.8424  0.6868  1
  Ta  Ta46  1  0.9814  0.3385  0.1894  1
  Ta  Ta47  1  0.9944  0.0036  0.8530  1
  In  In48  1  0.0023  0.9985  0.6518  1
  In  In49  1  0.0036  0.6635  0.3161  1
  In  In50  1  0.0039  0.6600  0.0098  1
  In  In51  1  0.0148  0.6654  0.8202  1
  In  In52  1  0.4966  0.4980  0.1525  1
  In  In53  1  0.4967  0.1652  0.3166  1
  In  In54  1  0.4970  0.1626  0.8158  1
  In  In55  1  0.4971  0.1609  0.5067  1
  In  In56  1  0.5018  0.8395  0.1929  1
  In  In57  1  0.5023  0.4978  0.6546  1
  In  In58  1  0.5027  0.8384  0.4802  1
  In  In59  1  0.5081  0.1640  0.0141  1
  In  In60  1  0.5093  0.8379  0.9807  1
  In  In61  1  0.9903  0.0013  0.1583  1
  In  In62  1  0.9907  0.3374  0.4797  1
  In  In63  1  0.9917  0.6647  0.5115  1
  In  In64  1  0.9969  0.3381  0.9820  1
  In  In65  1  0.9985  0.3385  0.6924  1
  Si  Si66  1  0.1458  0.8162  0.4169  1
  Si  Si67  1  0.1467  0.4801  0.0838  1
  Si  Si68  1  0.1475  0.1463  0.7465  1
  Si  Si69  1  0.1525  0.5195  0.4185  1
  Si  Si70  1  0.1999  0.1663  0.4181  1
  Si  Si71  1  0.2065  0.5061  0.7475  1
  Si  Si72  1  0.2924  0.0041  0.2470  1
  Si  Si73  1  0.3038  0.6671  0.9182  1
  Si  Si74  1  0.3481  0.0194  0.9178  1
  Si  Si75  1  0.3509  0.3120  0.9172  1
  Si  Si76  1  0.3518  0.9826  0.5826  1
  Si  Si77  1  0.3526  0.6468  0.2464  1
  Si  Si78  1  0.6424  0.3143  0.4169  1
  Si  Si79  1  0.6447  0.3513  0.7497  1
  Si  Si80  1  0.6513  0.9817  0.0838  1
  Si  Si81  1  0.6544  0.0177  0.4154  1
  Si  Si82  1  0.7007  0.6669  0.4158  1
  Si  Si83  1  0.7008  0.3334  0.0827  1
  Si  Si84  1  0.7090  0.9999  0.7484  1
  Si  Si85  1  0.7908  0.5013  0.2480  1
  Si  Si86  1  0.7979  0.1676  0.9154  1
  Si  Si87  1  0.7987  0.8331  0.5832  1
  Si  Si88  1  0.8465  0.5185  0.9137  1
  Si  Si89  1  0.8501  0.4825  0.5853  1
  Si  Si90  1  0.8506  0.1517  0.2489  1
  Si  Si91  1  0.8562  0.8512  0.2495  1
  Si  Si92  1  0.8581  0.8124  0.9151  1
  S  S93  1  0.1436  0.1886  0.0848  1
  S  S94  1  0.1544  0.8503  0.7492  1
  S  S95  1  0.2039  0.8316  0.0829  1
  S  S96  1  0.2958  0.3322  0.5838  1
  S  S97  1  0.3459  0.3519  0.2500  1
  S  S98  1  0.3587  0.6891  0.5870  1
  S  S99  1  0.6439  0.6517  0.7497  1
  S  S100  1  0.6496  0.6867  0.0829  1
  S  S101  1  0.8507  0.1870  0.5838  1
  O  O102  1  0.0589  0.2364  0.7484  1
  O  O103  1  0.0598  0.5596  0.3659  1
  O  O104  1  0.0620  0.5719  0.0834  1
  O  O105  1  0.0670  0.7802  0.4776  1
  O  O106  1  0.0711  0.9109  0.4074  1
  O  O107  1  0.0718  0.0905  0.8026  1
  O  O108  1  0.0738  0.4232  0.1392  1
  O  O109  1  0.0809  0.1027  0.0885  1
  O  O110  1  0.0854  0.2242  0.0292  1
  O  O111  1  0.0879  0.7670  0.7546  1
  O  O112  1  0.0888  0.2461  0.4247  1
  O  O113  1  0.0919  0.5842  0.7519  1
  O  O114  1  0.0923  0.4233  0.4233  1
  O  O115  1  0.0973  0.8879  0.6944  1
  O  O116  1  0.1000  0.0810  0.4072  1
  O  O117  1  0.1046  0.2423  0.1359  1
  O  O118  1  0.1075  0.7564  0.0799  1
  O  O119  1  0.1141  0.9096  0.0848  1
  O  O120  1  0.1189  0.0964  0.6857  1
  O  O121  1  0.1212  0.4158  0.7516  1
  O  O122  1  0.1252  0.9041  0.8018  1
  O  O123  1  0.1263  0.7562  0.3603  1
  O  O124  1  0.1278  0.4265  0.0236  1
  O  O125  1  0.1488  0.5759  0.4795  1
  O  O126  1  0.1697  0.0085  0.9036  1
  O  O127  1  0.1764  0.9910  0.5890  1
  O  O128  1  0.1769  0.9949  0.3038  1
  O  O129  1  0.1776  0.3276  0.9216  1
  O  O130  1  0.1813  0.6629  0.2531  1
  O  O131  1  0.1838  0.3470  0.2453  1
  O  O132  1  0.1979  0.6828  0.5862  1
  O  O133  1  0.2029  0.6940  0.8636  1
  O  O134  1  0.2036  0.0121  0.1849  1
  O  O135  1  0.2048  0.3410  0.5303  1
  O  O136  1  0.2065  0.3214  0.6374  1
  O  O137  1  0.2137  0.6390  0.9776  1
  O  O138  1  0.2846  0.1423  0.4803  1
  O  O139  1  0.2939  0.8396  0.0286  1
  O  O140  1  0.2948  0.8197  0.1358  1
  O  O141  1  0.2969  0.5180  0.6861  1
  O  O142  1  0.3050  0.1835  0.0837  1
  O  O143  1  0.3082  0.1915  0.3655  1
  O  O144  1  0.3173  0.8417  0.7441  1
  O  O145  1  0.3189  0.1628  0.7530  1
  O  O146  1  0.3212  0.8278  0.4222  1
  O  O147  1  0.3234  0.4909  0.0886  1
  O  O148  1  0.3245  0.4980  0.8038  1
  O  O149  1  0.3303  0.5092  0.4044  1
  O  O150  1  0.3514  0.0773  0.9776  1
  O  O151  1  0.3731  0.9234  0.5259  1
  O  O152  1  0.3745  0.2577  0.8585  1
  O  O153  1  0.3790  0.4068  0.3019  1
  O  O154  1  0.3794  0.9139  0.2519  1
  O  O155  1  0.3807  0.5969  0.1854  1
  O  O156  1  0.3856  0.4110  0.5853  1
  O  O157  1  0.3928  0.2577  0.5809  1
  O  O158  1  0.3973  0.7427  0.6385  1
  O  O159  1  0.4028  0.0826  0.2516  1
  O  O160  1  0.4052  0.5825  0.9048  1
  O  O161  1  0.4053  0.3886  0.1945  1
  O  O162  1  0.4077  0.9229  0.9226  1
  O  O163  1  0.4092  0.2692  0.2557  1
  O  O164  1  0.4143  0.7459  0.9257  1
  O  O165  1  0.4169  0.7246  0.5316  1
  O  O166  1  0.4249  0.6038  0.5913  1
  O  O167  1  0.4261  0.4093  0.9079  1
  O  O168  1  0.4265  0.9258  0.6402  1
  O  O169  1  0.4272  0.5908  0.3026  1
  O  O170  1  0.4340  0.2791  0.9765  1
  O  O171  1  0.4376  0.0727  0.5834  1
  O  O172  1  0.4395  0.0581  0.8642  1
  O  O173  1  0.4423  0.7361  0.2480  1
  O  O174  1  0.5632  0.4081  0.4059  1
  O  O175  1  0.5675  0.2818  0.4796  1
  O  O176  1  0.5685  0.0733  0.0804  1
  O  O177  1  0.5695  0.7348  0.7442  1
  O  O178  1  0.5718  0.0581  0.3599  1
  O  O179  1  0.5734  0.2594  0.7544  1
  O  O180  1  0.5739  0.9376  0.1409  1
  O  O181  1  0.5766  0.3887  0.6888  1
  O  O182  1  0.5815  0.6086  0.8022  1
  O  O183  1  0.5860  0.7430  0.4228  1
  O  O184  1  0.5861  0.7251  0.0289  1
  O  O185  1  0.5863  0.6008  0.0848  1
  O  O186  1  0.5877  0.9235  0.4183  1
  O  O187  1  0.5986  0.5791  0.4057  1
  O  O188  1  0.5991  0.4177  0.8045  1
  O  O189  1  0.6009  0.4178  0.0886  1
  O  O190  1  0.6037  0.9120  0.7433  1
  O  O191  1  0.6042  0.2480  0.0843  1
  O  O192  1  0.6120  0.0825  0.7544  1
  O  O193  1  0.6165  0.7365  0.1359  1
  O  O194  1  0.6193  0.6019  0.6948  1
  O  O195  1  0.6195  0.2510  0.3636  1
  O  O196  1  0.6335  0.9240  0.0245  1
  O  O197  1  0.6456  0.0735  0.4767  1
  O  O198  1  0.6671  0.5116  0.9039  1
  O  O199  1  0.6697  0.4965  0.5889  1
  O  O200  1  0.6756  0.8233  0.6402  1
  O  O201  1  0.6774  0.1604  0.2555  1
  O  O202  1  0.6793  0.8489  0.2522  1
  O  O203  1  0.6793  0.4855  0.3052  1
  O  O204  1  0.6830  0.8277  0.9184  1
  O  O205  1  0.6895  0.1814  0.5800  1
  O  O206  1  0.6989  0.8480  0.5259  1
  O  O207  1  0.7003  0.5125  0.1876  1
  O  O208  1  0.7027  0.1870  0.8576  1
  O  O209  1  0.7096  0.1398  0.9744  1
  O  O210  1  0.7870  0.6391  0.4757  1
  O  O211  1  0.7967  0.3492  0.0240  1
  O  O212  1  0.7988  0.6862  0.3590  1
  O  O213  1  0.7988  0.0102  0.6879  1
  O  O214  1  0.8022  0.6609  0.7542  1
  O  O215  1  0.8109  0.6813  0.0791  1
  O  O216  1  0.8176  0.3300  0.4192  1
  O  O217  1  0.8199  0.9842  0.8054  1
  O  O218  1  0.8214  0.3498  0.7528  1
  O  O219  1  0.8214  0.3237  0.1392  1
  O  O220  1  0.8311  0.9924  0.0864  1
  O  O221  1  0.8331  0.0101  0.4071  1
  O  O222  1  0.8549  0.5762  0.9734  1
  O  O223  1  0.8662  0.4223  0.5274  1
  O  O224  1  0.8700  0.0996  0.1879  1
  O  O225  1  0.8785  0.7501  0.8600  1
  O  O226  1  0.8827  0.2367  0.6372  1
  O  O227  1  0.8867  0.5841  0.2548  1
  O  O228  1  0.8939  0.4143  0.2432  1
  O  O229  1  0.8944  0.7473  0.5855  1
  O  O230  1  0.8984  0.9170  0.5894  1
  O  O231  1  0.8995  0.9172  0.3043  1
  O  O232  1  0.9010  0.0795  0.9057  1
  O  O233  1  0.9123  0.2441  0.9223  1
  O  O234  1  0.9137  0.4248  0.9178  1
  O  O235  1  0.9144  0.1014  0.5858  1
  O  O236  1  0.9151  0.2260  0.5303  1
  O  O237  1  0.9224  0.5579  0.8557  1
  O  O238  1  0.9248  0.1002  0.3058  1
  O  O239  1  0.9250  0.8860  0.1878  1
  O  O240  1  0.9254  0.4402  0.6436  1
  O  O241  1  0.9266  0.7589  0.2549  1
  O  O242  1  0.9320  0.5742  0.5806  1
  O  O243  1  0.9360  0.7784  0.9763  1
  O  O244  1  0.9372  0.9063  0.9043  1
  O  O245  1  0.9390  0.2433  0.2417  1
]