data_[Na42La18Ta6Si27S9O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  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 [9.5754]
_cell_length_b [16.6530]
_cell_length_c [23.2604]
_cell_angle_alpha [90.5086]
_cell_angle_beta [90.1631]
_cell_angle_gamma [90.0181]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14La6Ta2Si9(SO16)3]
_chemical_formula_sum '[Na42 La18 Ta6 Si27 S9 O144]'
_cell_volume [3708.9436]
_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  0.0190  0.9982  0.9999  1
  Na  Na1  1  0.1209  0.4983  0.2388  1
  Na  Na2  1  0.1396  0.8430  0.9161  1
  Na  Na3  1  0.1470  0.1646  0.5964  1
  Na  Na4  1  0.1674  0.4907  0.5869  1
  Na  Na5  1  0.1737  0.8496  0.5885  1
  Na  Na6  1  0.1826  0.5089  0.9118  1
  Na  Na7  1  0.1951  0.1859  0.2364  1
  Na  Na8  1  0.1977  0.1465  0.9087  1
  Na  Na9  1  0.2994  0.6482  0.4229  1
  Na  Na10  1  0.3041  0.6872  0.7357  1
  Na  Na11  1  0.3156  0.3425  0.0819  1
  Na  Na12  1  0.3157  0.0108  0.4191  1
  Na  Na13  1  0.3316  0.9903  0.0820  1
  Na  Na14  1  0.3515  0.6665  0.0910  1
  Na  Na15  1  0.3564  0.3403  0.4240  1
  Na  Na16  1  0.3655  0.0081  0.7405  1
  Na  Na17  1  0.4809  0.4960  0.5072  1
  Na  Na18  1  0.4818  0.1631  0.8297  1
  Na  Na19  1  0.5012  0.8337  0.1612  1
  Na  Na20  1  0.5015  0.8340  0.6644  1
  Na  Na21  1  0.5050  0.4921  0.9955  1
  Na  Na22  1  0.5141  0.1485  0.3228  1
  Na  Na23  1  0.6255  0.3383  0.9214  1
  Na  Na24  1  0.6546  0.6751  0.5914  1
  Na  Na25  1  0.6676  0.0208  0.9058  1
  Na  Na26  1  0.6765  0.3389  0.5949  1
  Na  Na27  1  0.6780  0.3106  0.2365  1
  Na  Na28  1  0.6831  0.9860  0.5903  1
  Na  Na29  1  0.6984  0.6360  0.9108  1
  Na  Na30  1  0.8044  0.1374  0.4157  1
  Na  Na31  1  0.8242  0.8129  0.7356  1
  Na  Na32  1  0.8263  0.8422  0.0903  1
  Na  Na33  1  0.8281  0.4845  0.0811  1
  Na  Na34  1  0.8335  0.5193  0.4136  1
  Na  Na35  1  0.8516  0.1712  0.0865  1
  Na  Na36  1  0.8777  0.8420  0.4272  1
  Na  Na37  1  0.9869  0.6489  0.8210  1
  Na  Na38  1  0.9961  0.9935  0.5095  1
  Na  Na39  1  0.9987  0.3312  0.1628  1
  Na  Na40  1  0.9989  0.6632  0.3369  1
  Na  Na41  1  0.9999  0.3288  0.6662  1
  La  La42  1  0.0031  0.6660  0.4927  1
  La  La43  1  0.0035  0.0009  0.8398  1
  La  La44  1  0.0035  0.3378  0.3075  1
  La  La45  1  0.0051  0.3365  0.0154  1
  La  La46  1  0.0059  0.3363  0.5183  1
  La  La47  1  0.4943  0.8369  0.0166  1
  La  La48  1  0.4954  0.1641  0.9896  1
  La  La49  1  0.4954  0.8376  0.5186  1
  La  La50  1  0.4968  0.8391  0.8071  1
  La  La51  1  0.4982  0.4981  0.3429  1
  La  La52  1  0.5025  0.1623  0.4982  1
  La  La53  1  0.5042  0.1687  0.6838  1
  La  La54  1  0.5055  0.4988  0.8403  1
  La  La55  1  0.5061  0.1591  0.1812  1
  La  La56  1  0.9897  0.6690  0.1829  1
  La  La57  1  0.9932  0.6604  0.6808  1
  La  La58  1  0.9958  0.9989  0.3417  1
  La  La59  1  0.9968  0.6605  0.9943  1
  Ta  Ta60  1  0.0081  0.0036  0.1505  1
  Ta  Ta61  1  0.0260  0.3412  0.8106  1
  Ta  Ta62  1  0.4829  0.8452  0.3135  1
  Ta  Ta63  1  0.4942  0.5028  0.6514  1
  Ta  Ta64  1  0.5123  0.4950  0.1489  1
  Ta  Ta65  1  0.9957  0.0062  0.6555  1
  Si  Si66  1  0.1417  0.1569  0.7538  1
  Si  Si67  1  0.1475  0.8236  0.0849  1
  Si  Si68  1  0.1482  0.8538  0.7488  1
  Si  Si69  1  0.1540  0.4897  0.4159  1
  Si  Si70  1  0.1680  0.5136  0.0898  1
  Si  Si71  1  0.1867  0.1634  0.0876  1
  Si  Si72  1  0.1973  0.8305  0.4140  1
  Si  Si73  1  0.2066  0.4972  0.7536  1
  Si  Si74  1  0.2946  0.9959  0.2536  1
  Si  Si75  1  0.3054  0.3316  0.9148  1
  Si  Si76  1  0.3153  0.6623  0.5867  1
  Si  Si77  1  0.3311  0.0129  0.5870  1
  Si  Si78  1  0.3433  0.9886  0.9180  1
  Si  Si79  1  0.3516  0.3532  0.2476  1
  Si  Si80  1  0.3522  0.3253  0.5828  1
  Si  Si81  1  0.6392  0.6508  0.7518  1
  Si  Si82  1  0.6430  0.9841  0.4140  1
  Si  Si83  1  0.6528  0.3237  0.0849  1
  Si  Si84  1  0.6706  0.0110  0.0807  1
  Si  Si85  1  0.6823  0.6617  0.0815  1
  Si  Si86  1  0.6999  0.9981  0.7517  1
  Si  Si87  1  0.7982  0.4995  0.2518  1
  Si  Si88  1  0.8164  0.1622  0.5804  1
  Si  Si89  1  0.8279  0.5116  0.5791  1
  Si  Si90  1  0.8529  0.8293  0.5856  1
  Si  Si91  1  0.8587  0.4804  0.9122  1
  Si  Si92  1  0.8613  0.1502  0.2515  1
  S  S93  1  0.1585  0.1809  0.4156  1
  S  S94  1  0.3431  0.6800  0.9164  1
  S  S95  1  0.3603  0.6599  0.2512  1
  S  S96  1  0.6480  0.6929  0.4095  1
  S  S97  1  0.6749  0.3518  0.7494  1
  S  S98  1  0.6900  0.3296  0.4162  1
  S  S99  1  0.8101  0.8296  0.9172  1
  S  S100  1  0.8230  0.8490  0.2516  1
  S  S101  1  0.8495  0.1891  0.9124  1
  O  O102  1  0.0606  0.9089  0.1024  1
  O  O103  1  0.0616  0.2474  0.7601  1
  O  O104  1  0.0670  0.2313  0.0807  1
  O  O105  1  0.0689  0.5763  0.4181  1
  O  O106  1  0.0717  0.1010  0.6995  1
  O  O107  1  0.0773  0.7917  0.0239  1
  O  O108  1  0.0834  0.7645  0.7417  1
  O  O109  1  0.0856  0.9216  0.7009  1
  O  O110  1  0.0887  0.5558  0.1435  1
  O  O111  1  0.0960  0.4423  0.3583  1
  O  O112  1  0.0975  0.0986  0.4145  1
  O  O113  1  0.0987  0.9098  0.4102  1
  O  O114  1  0.0996  0.0749  0.0999  1
  O  O115  1  0.1010  0.8849  0.8123  1
  O  O116  1  0.1044  0.2211  0.4680  1
  O  O117  1  0.1057  0.4128  0.7564  1
  O  O118  1  0.1109  0.7464  0.4086  1
  O  O119  1  0.1129  0.4215  0.0842  1
  O  O120  1  0.1153  0.5765  0.7443  1
  O  O121  1  0.1190  0.2278  0.3642  1
  O  O122  1  0.1196  0.1109  0.8139  1
  O  O123  1  0.1226  0.4355  0.4726  1
  O  O124  1  0.1253  0.7546  0.1324  1
  O  O125  1  0.1513  0.5688  0.0317  1
  O  O126  1  0.1596  0.0132  0.6003  1
  O  O127  1  0.1713  0.9994  0.9185  1
  O  O128  1  0.1746  0.9853  0.2007  1
  O  O129  1  0.1792  0.3310  0.8604  1
  O  O130  1  0.1819  0.3561  0.2393  1
  O  O131  1  0.1868  0.3502  0.5840  1
  O  O132  1  0.1878  0.6744  0.9174  1
  O  O133  1  0.2075  0.6688  0.2466  1
  O  O134  1  0.2150  0.6836  0.6398  1
  O  O135  1  0.2185  0.3380  0.9741  1
  O  O136  1  0.2213  0.0011  0.3153  1
  O  O137  1  0.2258  0.6410  0.5281  1
  O  O138  1  0.2789  0.5036  0.8157  1
  O  O139  1  0.2790  0.1412  0.0307  1
  O  O140  1  0.2825  0.1842  0.1424  1
  O  O141  1  0.2876  0.8364  0.4721  1
  O  O142  1  0.3079  0.1645  0.7447  1
  O  O143  1  0.3137  0.1764  0.4178  1
  O  O144  1  0.3138  0.8466  0.0838  1
  O  O145  1  0.3180  0.8558  0.7401  1
  O  O146  1  0.3259  0.5050  0.4166  1
  O  O147  1  0.3259  0.8302  0.3597  1
  O  O148  1  0.3276  0.4861  0.7014  1
  O  O149  1  0.3404  0.5118  0.1032  1
  O  O150  1  0.3491  0.0640  0.5267  1
  O  O151  1  0.3754  0.2527  0.6269  1
  O  O152  1  0.3789  0.9403  0.9774  1
  O  O153  1  0.3820  0.9195  0.5847  1
  O  O154  1  0.3838  0.7276  0.8658  1
  O  O155  1  0.3865  0.0752  0.2451  1
  O  O156  1  0.3876  0.6150  0.3047  1
  O  O157  1  0.3923  0.2481  0.9092  1
  O  O158  1  0.3941  0.7192  0.9699  1
  O  O159  1  0.3979  0.9113  0.2570  1
  O  O160  1  0.3981  0.5731  0.6004  1
  O  O161  1  0.3990  0.3888  0.3101  1
  O  O162  1  0.4035  0.4117  0.9115  1
  O  O163  1  0.4040  0.9375  0.8628  1
  O  O164  1  0.4052  0.5977  0.9154  1
  O  O165  1  0.4171  0.4189  0.1985  1
  O  O166  1  0.4173  0.2642  0.2429  1
  O  O167  1  0.4179  0.6165  0.2003  1
  O  O168  1  0.4180  0.2970  0.5201  1
  O  O169  1  0.4183  0.0567  0.6379  1
  O  O170  1  0.4255  0.0759  0.9165  1
  O  O171  1  0.4297  0.7414  0.2557  1
  O  O172  1  0.4379  0.7284  0.5808  1
  O  O173  1  0.4412  0.4094  0.6017  1
  O  O174  1  0.5444  0.7307  0.7400  1
  O  O175  1  0.5601  0.0697  0.4106  1
  O  O176  1  0.5657  0.7329  0.0797  1
  O  O177  1  0.5666  0.0515  0.1270  1
  O  O178  1  0.5745  0.9222  0.3589  1
  O  O179  1  0.5753  0.4151  0.0963  1
  O  O180  1  0.5766  0.2916  0.0260  1
  O  O181  1  0.5769  0.5815  0.7028  1
  O  O182  1  0.5860  0.0699  0.7490  1
  O  O183  1  0.5887  0.6108  0.4049  1
  O  O184  1  0.5957  0.5783  0.0997  1
  O  O185  1  0.5963  0.7452  0.3616  1
  O  O186  1  0.5983  0.2574  0.4164  1
  O  O187  1  0.6022  0.4044  0.4168  1
  O  O188  1  0.6034  0.7256  0.4655  1
  O  O189  1  0.6118  0.6140  0.8152  1
  O  O190  1  0.6136  0.9347  0.4717  1
  O  O191  1  0.6178  0.2705  0.7444  1
  O  O192  1  0.6248  0.3854  0.8046  1
  O  O193  1  0.6251  0.2660  0.1386  1
  O  O194  1  0.6258  0.9162  0.0770  1
  O  O195  1  0.6277  0.9094  0.7400  1
  O  O196  1  0.6285  0.4027  0.7000  1
  O  O197  1  0.6602  0.5110  0.6009  1
  O  O198  1  0.6647  0.8426  0.2536  1
  O  O199  1  0.6672  0.0658  0.0222  1
  O  O200  1  0.6721  0.5032  0.2001  1
  O  O201  1  0.6854  0.8460  0.5831  1
  O  O202  1  0.6886  0.4904  0.9082  1
  O  O203  1  0.6931  0.1895  0.6238  1
  O  O204  1  0.6934  0.1869  0.9096  1
  O  O205  1  0.6958  0.1687  0.2460  1
  O  O206  1  0.7182  0.8252  0.8661  1
  O  O207  1  0.7226  0.5032  0.3143  1
  O  O208  1  0.7251  0.8309  0.9703  1
  O  O209  1  0.7387  0.1419  0.5180  1
  O  O210  1  0.7642  0.6379  0.0212  1
  O  O211  1  0.7734  0.9999  0.8148  1
  O  O212  1  0.7779  0.3326  0.4684  1
  O  O213  1  0.7790  0.3259  0.3643  1
  O  O214  1  0.8014  0.6878  0.1276  1
  O  O215  1  0.8036  0.6893  0.4073  1
  O  O216  1  0.8045  0.6695  0.7463  1
  O  O217  1  0.8117  0.9927  0.4086  1
  O  O218  1  0.8182  0.3434  0.0826  1
  O  O219  1  0.8253  0.0029  0.7006  1
  O  O220  1  0.8315  0.5643  0.5193  1
  O  O221  1  0.8316  0.3491  0.7501  1
  O  O222  1  0.8394  0.0085  0.1020  1
  O  O223  1  0.8624  0.8987  0.2013  1
  O  O224  1  0.8715  0.4167  0.5763  1
  O  O225  1  0.8722  0.8847  0.3061  1
  O  O226  1  0.8724  0.4114  0.2408  1
  O  O227  1  0.8763  0.7649  0.6365  1
  O  O228  1  0.8824  0.7678  0.2477  1
  O  O229  1  0.8862  0.4377  0.9736  1
  O  O230  1  0.8899  0.1138  0.3149  1
  O  O231  1  0.8934  0.2213  0.9694  1
  O  O232  1  0.8975  0.9039  0.9177  1
  O  O233  1  0.8988  0.0773  0.5979  1
  O  O234  1  0.9018  0.7569  0.9166  1
  O  O235  1  0.9031  0.2409  0.8657  1
  O  O236  1  0.9048  0.1057  0.9091  1
  O  O237  1  0.9129  0.5716  0.2492  1
  O  O238  1  0.9240  0.7940  0.5256  1
  O  O239  1  0.9252  0.0814  0.2025  1
  O  O240  1  0.9256  0.4175  0.8599  1
  O  O241  1  0.9317  0.9175  0.5988  1
  O  O242  1  0.9348  0.5541  0.6237  1
  O  O243  1  0.9357  0.2326  0.5804  1
  O  O244  1  0.9398  0.5676  0.9090  1
  O  O245  1  0.9542  0.2312  0.2399  1
]