data_[Na6La9Ta15Si18S18O144]
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 [9.1066]
_cell_length_b [15.7388]
_cell_length_c [23.6884]
_cell_angle_alpha [90.1152]
_cell_angle_beta [90.2666]
_cell_angle_gamma [90.2017]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2La3Ta5Si6(SO8)6]
_chemical_formula_sum '[Na6 La9 Ta15 Si18 S18 O144]'
_cell_volume [3395.1316]
_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  0.4939  0.5037  0.0014  1
  Na  Na1  1  0.5106  0.8376  0.6545  1
  Na  Na2  1  0.5128  0.8338  0.1649  1
  Na  Na3  1  0.9592  0.3385  0.1637  1
  Na  Na4  1  0.9636  0.9880  0.4985  1
  Na  Na5  1  0.9831  0.3178  0.6646  1
  La  La6  1  0.0007  0.3357  0.0269  1
  La  La7  1  0.0056  0.3381  0.5202  1
  La  La8  1  0.0071  0.9987  0.3417  1
  La  La9  1  0.4803  0.4880  0.8514  1
  La  La10  1  0.4916  0.8411  0.0256  1
  La  La11  1  0.5155  0.8283  0.5187  1
  La  La12  1  0.5249  0.5027  0.1494  1
  La  La13  1  0.9897  0.6763  0.6951  1
  La  La14  1  0.9922  0.0078  0.6467  1
  Ta  Ta15  1  0.0038  0.0059  0.1376  1
  Ta  Ta16  1  0.0094  0.3231  0.3116  1
  Ta  Ta17  1  0.0155  0.0072  0.8480  1
  Ta  Ta18  1  0.0164  0.3393  0.8114  1
  Ta  Ta19  1  0.4847  0.8347  0.8184  1
  Ta  Ta20  1  0.5008  0.8269  0.3225  1
  Ta  Ta21  1  0.5011  0.4900  0.6390  1
  Ta  Ta22  1  0.5033  0.4987  0.3504  1
  Ta  Ta23  1  0.5044  0.1688  0.1915  1
  Ta  Ta24  1  0.5057  0.1761  0.4803  1
  Ta  Ta25  1  0.5083  0.1558  0.9833  1
  Ta  Ta26  1  0.5168  0.1620  0.6938  1
  Ta  Ta27  1  0.9783  0.6644  0.1886  1
  Ta  Ta28  1  0.9859  0.6679  0.4743  1
  Ta  Ta29  1  0.9952  0.6725  0.9778  1
  Si  Si30  1  0.1350  0.4868  0.9198  1
  Si  Si31  1  0.1472  0.1476  0.2445  1
  Si  Si32  1  0.1971  0.8376  0.9169  1
  Si  Si33  1  0.2962  0.9967  0.7470  1
  Si  Si34  1  0.2969  0.3337  0.4144  1
  Si  Si35  1  0.3448  0.6788  0.4164  1
  Si  Si36  1  0.3510  0.3502  0.7426  1
  Si  Si37  1  0.3540  0.0296  0.0883  1
  Si  Si38  1  0.6382  0.0283  0.5831  1
  Si  Si39  1  0.6426  0.6511  0.2525  1
  Si  Si40  1  0.6455  0.3038  0.5889  1
  Si  Si41  1  0.6542  0.3527  0.2522  1
  Si  Si42  1  0.7099  0.6579  0.5845  1
  Si  Si43  1  0.7814  0.1620  0.0894  1
  Si  Si44  1  0.8034  0.8362  0.4184  1
  Si  Si45  1  0.8566  0.5289  0.0815  1
  Si  Si46  1  0.8579  0.1524  0.7542  1
  Si  Si47  1  0.8633  0.8100  0.0869  1
  S  S48  1  0.1286  0.8113  0.5756  1
  S  S49  1  0.1558  0.1871  0.9132  1
  S  S50  1  0.1600  0.5265  0.5866  1
  S  S51  1  0.1619  0.8464  0.2435  1
  S  S52  1  0.1976  0.4968  0.2521  1
  S  S53  1  0.2303  0.1640  0.5815  1
  S  S54  1  0.2678  0.6617  0.0835  1
  S  S55  1  0.3656  0.9886  0.4155  1
  S  S56  1  0.3754  0.3021  0.0819  1
  S  S57  1  0.3781  0.6570  0.7487  1
  S  S58  1  0.6539  0.9834  0.9145  1
  S  S59  1  0.6551  0.6915  0.9167  1
  S  S60  1  0.6915  0.9958  0.2453  1
  S  S61  1  0.7007  0.3207  0.9192  1
  S  S62  1  0.7924  0.4864  0.7493  1
  S  S63  1  0.8377  0.8596  0.7609  1
  S  S64  1  0.8416  0.1882  0.4154  1
  S  S65  1  0.8474  0.4819  0.4132  1
  O  O66  1  0.0485  0.5779  0.9285  1
  O  O67  1  0.0517  0.8927  0.5685  1
  O  O68  1  0.0579  0.0925  0.1949  1
  O  O69  1  0.0654  0.2436  0.2557  1
  O  O70  1  0.0685  0.4310  0.8613  1
  O  O71  1  0.0793  0.7539  0.5266  1
  O  O72  1  0.0802  0.2133  0.9638  1
  O  O73  1  0.0878  0.8699  0.2961  1
  O  O74  1  0.0883  0.7708  0.6290  1
  O  O75  1  0.0902  0.9146  0.8930  1
  O  O76  1  0.0924  0.4240  0.2677  1
  O  O77  1  0.0964  0.0997  0.8980  1
  O  O78  1  0.1037  0.7514  0.9289  1
  O  O79  1  0.1056  0.5737  0.2441  1
  O  O80  1  0.1069  0.4377  0.5874  1
  O  O81  1  0.1079  0.5703  0.6368  1
  O  O82  1  0.1136  0.4225  0.9708  1
  O  O83  1  0.1139  0.7580  0.2286  1
  O  O84  1  0.1240  0.5695  0.5333  1
  O  O85  1  0.1268  0.2462  0.8646  1
  O  O86  1  0.1281  0.9075  0.1976  1
  O  O87  1  0.1367  0.2410  0.5848  1
  O  O88  1  0.1392  0.0869  0.5754  1
  O  O89  1  0.1442  0.1001  0.3033  1
  O  O90  1  0.1649  0.3472  0.7569  1
  O  O91  1  0.1666  0.6688  0.4301  1
  O  O92  1  0.1712  0.6588  0.1339  1
  O  O93  1  0.1720  0.0249  0.0939  1
  O  O94  1  0.1746  0.3165  0.3615  1
  O  O95  1  0.1783  0.0115  0.8009  1
  O  O96  1  0.1818  0.6671  0.0293  1
  O  O97  1  0.2034  0.3587  0.4689  1
  O  O98  1  0.2050  0.9632  0.6941  1
  O  O99  1  0.2083  0.0047  0.4071  1
  O  O100  1  0.2154  0.2988  0.0842  1
  O  O101  1  0.2234  0.6770  0.7409  1
  O  O102  1  0.2724  0.4717  0.2004  1
  O  O103  1  0.2875  0.8204  0.5745  1
  O  O104  1  0.2977  0.8674  0.9682  1
  O  O105  1  0.2998  0.5104  0.2999  1
  O  O106  1  0.3082  0.5079  0.9147  1
  O  O107  1  0.3139  0.1722  0.2263  1
  O  O108  1  0.3167  0.1778  0.9219  1
  O  O109  1  0.3182  0.1704  0.5272  1
  O  O110  1  0.3204  0.8173  0.8630  1
  O  O111  1  0.3248  0.1602  0.6313  1
  O  O112  1  0.3258  0.8444  0.2531  1
  O  O113  1  0.3290  0.5230  0.5916  1
  O  O114  1  0.3558  0.5835  0.0803  1
  O  O115  1  0.3610  0.7385  0.0878  1
  O  O116  1  0.3801  0.7533  0.3632  1
  O  O117  1  0.3833  0.4250  0.6941  1
  O  O118  1  0.3837  0.9371  0.4660  1
  O  O119  1  0.3943  0.2555  0.7234  1
  O  O120  1  0.3953  0.2482  0.4285  1
  O  O121  1  0.3966  0.0780  0.0260  1
  O  O122  1  0.3993  0.6107  0.8014  1
  O  O123  1  0.3995  0.0791  0.7381  1
  O  O124  1  0.4041  0.9177  0.7719  1
  O  O125  1  0.4042  0.4114  0.3931  1
  O  O126  1  0.4088  0.5892  0.3909  1
  O  O127  1  0.4142  0.0903  0.1378  1
  O  O128  1  0.4229  0.3760  0.8014  1
  O  O129  1  0.4237  0.2520  0.0292  1
  O  O130  1  0.4237  0.9372  0.0920  1
  O  O131  1  0.4256  0.9404  0.3640  1
  O  O132  1  0.4327  0.7123  0.4692  1
  O  O133  1  0.4333  0.2635  0.1339  1
  O  O134  1  0.4353  0.3876  0.0750  1
  O  O135  1  0.4442  0.6151  0.6994  1
  O  O136  1  0.4457  0.0712  0.4207  1
  O  O137  1  0.4560  0.7449  0.7569  1
  O  O138  1  0.5563  0.3970  0.5972  1
  O  O139  1  0.5570  0.9379  0.5872  1
  O  O140  1  0.5648  0.6266  0.1941  1
  O  O141  1  0.5706  0.4069  0.3015  1
  O  O142  1  0.5731  0.0671  0.9238  1
  O  O143  1  0.5734  0.9381  0.8676  1
  O  O144  1  0.5791  0.7465  0.2716  1
  O  O145  1  0.5800  0.2581  0.2408  1
  O  O146  1  0.5823  0.2634  0.5279  1
  O  O147  1  0.5828  0.0879  0.5270  1
  O  O148  1  0.5880  0.7263  0.9676  1
  O  O149  1  0.5907  0.0702  0.2344  1
  O  O150  1  0.5926  0.0806  0.6419  1
  O  O151  1  0.5946  0.7341  0.5848  1
  O  O152  1  0.5958  0.9192  0.2526  1
  O  O153  1  0.5959  0.2487  0.6426  1
  O  O154  1  0.6005  0.3939  0.9158  1
  O  O155  1  0.6053  0.2411  0.9261  1
  O  O156  1  0.6053  0.5825  0.3020  1
  O  O157  1  0.6072  0.6039  0.9073  1
  O  O158  1  0.6152  0.7468  0.8663  1
  O  O159  1  0.6176  0.5668  0.5974  1
  O  O160  1  0.6498  0.9343  0.9663  1
  O  O161  1  0.6622  0.4047  0.1941  1
  O  O162  1  0.6732  0.1682  0.1428  1
  O  O163  1  0.6745  0.8271  0.3661  1
  O  O164  1  0.6752  0.1526  0.0294  1
  O  O165  1  0.6774  0.1899  0.4205  1
  O  O166  1  0.6784  0.8499  0.7741  1
  O  O167  1  0.6792  0.1616  0.7455  1
  O  O168  1  0.6797  0.5219  0.0752  1
  O  O169  1  0.6886  0.8198  0.0878  1
  O  O170  1  0.6892  0.4994  0.3994  1
  O  O171  1  0.6937  0.4755  0.6992  1
  O  O172  1  0.7122  0.5016  0.8012  1
  O  O173  1  0.7261  0.8572  0.4762  1
  O  O174  1  0.7680  0.0160  0.2981  1
  O  O175  1  0.7867  0.3297  0.9712  1
  O  O176  1  0.7928  0.9824  0.1977  1
  O  O177  1  0.7942  0.3123  0.8688  1
  O  O178  1  0.8055  0.0032  0.8984  1
  O  O179  1  0.8107  0.6673  0.6399  1
  O  O180  1  0.8164  0.0251  0.5782  1
  O  O181  1  0.8187  0.3220  0.5880  1
  O  O182  1  0.8191  0.6944  0.9218  1
  O  O183  1  0.8238  0.6495  0.5278  1
  O  O184  1  0.8244  0.6631  0.2428  1
  O  O185  1  0.8253  0.3382  0.2745  1
  O  O186  1  0.8478  0.8984  0.7049  1
  O  O187  1  0.8497  0.4331  0.4657  1
  O  O188  1  0.8719  0.0713  0.0950  1
  O  O189  1  0.8782  0.4029  0.7558  1
  O  O190  1  0.8831  0.2422  0.3652  1
  O  O191  1  0.8885  0.7414  0.4261  1
  O  O192  1  0.8891  0.2411  0.0890  1
  O  O193  1  0.8912  0.1008  0.4075  1
  O  O194  1  0.8976  0.0858  0.8056  1
  O  O195  1  0.9017  0.5794  0.1426  1
  O  O196  1  0.9025  0.5525  0.7408  1
  O  O197  1  0.9028  0.9153  0.8051  1
  O  O198  1  0.9061  0.2234  0.4671  1
  O  O199  1  0.9085  0.7771  0.7654  1
  O  O200  1  0.9109  0.7511  0.1429  1
  O  O201  1  0.9125  0.5897  0.0290  1
  O  O202  1  0.9210  0.4385  0.3663  1
  O  O203  1  0.9210  0.5661  0.4232  1
  O  O204  1  0.9230  0.2444  0.7768  1
  O  O205  1  0.9265  0.9060  0.4055  1
  O  O206  1  0.9274  0.7649  0.0292  1
  O  O207  1  0.9411  0.4398  0.0893  1
  O  O208  1  0.9411  0.1268  0.6973  1
  O  O209  1  0.9473  0.9014  0.1021  1
]