data_[Na18Hf12In12Si15S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  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 [9.0016]
_cell_length_b [15.6462]
_cell_length_c [23.3188]
_cell_angle_alpha [89.7710]
_cell_angle_beta [89.9897]
_cell_angle_gamma [89.9365]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Hf4In4Si5S7O48]
_chemical_formula_sum '[Na18 Hf12 In12 Si15 S21 O144]'
_cell_volume [3284.1930]
_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  0.0069  0.0031  0.5038  1
  Na  Na1  1  0.0083  0.3315  0.8364  1
  Na  Na2  1  0.0132  0.6713  0.1635  1
  Na  Na3  1  0.1388  0.5032  0.7530  1
  Na  Na4  1  0.1408  0.1649  0.4253  1
  Na  Na5  1  0.3633  0.6631  0.9163  1
  Na  Na6  1  0.3686  0.0002  0.2548  1
  Na  Na7  1  0.4867  0.1724  0.6658  1
  Na  Na8  1  0.4917  0.8283  0.3395  1
  Na  Na9  1  0.4918  0.5042  0.9993  1
  Na  Na10  1  0.5011  0.8294  0.8226  1
  Na  Na11  1  0.5085  0.5035  0.5030  1
  Na  Na12  1  0.5189  0.1800  0.1671  1
  Na  Na13  1  0.6285  0.9957  0.7496  1
  Na  Na14  1  0.8682  0.4957  0.2506  1
  Na  Na15  1  0.9936  0.6779  0.6733  1
  Na  Na16  1  0.9940  0.3385  0.3282  1
  Na  Na17  1  0.9945  0.0042  0.9973  1
  Hf  Hf18  1  0.0024  0.6645  0.5194  1
  Hf  Hf19  1  0.0055  0.3279  0.9778  1
  Hf  Hf20  1  0.0096  0.6661  0.0217  1
  Hf  Hf21  1  0.0118  0.9993  0.6497  1
  Hf  Hf22  1  0.0138  0.9986  0.8504  1
  Hf  Hf23  1  0.4869  0.4986  0.3513  1
  Hf  Hf24  1  0.4878  0.4988  0.1488  1
  Hf  Hf25  1  0.4907  0.1652  0.5241  1
  Hf  Hf26  1  0.4929  0.8284  0.4793  1
  Hf  Hf27  1  0.5003  0.1654  0.0172  1
  Hf  Hf28  1  0.5073  0.5073  0.6439  1
  Hf  Hf29  1  0.9884  0.0013  0.1407  1
  In  In30  1  0.0043  0.9960  0.3540  1
  In  In31  1  0.0074  0.6687  0.8123  1
  In  In32  1  0.0190  0.6642  0.3164  1
  In  In33  1  0.4803  0.1663  0.8151  1
  In  In34  1  0.4906  0.5010  0.8512  1
  In  In35  1  0.5041  0.1709  0.3168  1
  In  In36  1  0.5059  0.8215  0.1762  1
  In  In37  1  0.5090  0.8242  0.6908  1
  In  In38  1  0.5121  0.8295  0.9880  1
  In  In39  1  0.9877  0.3322  0.1864  1
  In  In40  1  0.9879  0.3315  0.4918  1
  In  In41  1  0.9929  0.3242  0.6778  1
  Si  Si42  1  0.1427  0.1830  0.5823  1
  Si  Si43  1  0.1428  0.5199  0.9155  1
  Si  Si44  1  0.2019  0.4992  0.2490  1
  Si  Si45  1  0.2047  0.1634  0.9176  1
  Si  Si46  1  0.2954  0.6646  0.4173  1
  Si  Si47  1  0.2989  0.0010  0.7487  1
  Si  Si48  1  0.3534  0.6449  0.7506  1
  Si  Si49  1  0.3544  0.6831  0.0821  1
  Si  Si50  1  0.3592  0.0211  0.4142  1
  Si  Si51  1  0.6409  0.3528  0.2513  1
  Si  Si52  1  0.6488  0.6906  0.5827  1
  Si  Si53  1  0.6995  0.3340  0.5834  1
  Si  Si54  1  0.7960  0.8312  0.0829  1
  Si  Si55  1  0.8507  0.1909  0.0834  1
  Si  Si56  1  0.8586  0.8543  0.7513  1
  S  S57  1  0.1440  0.1439  0.2499  1
  S  S58  1  0.1475  0.8553  0.2482  1
  S  S59  1  0.1485  0.8145  0.9185  1
  S  S60  1  0.1486  0.4819  0.5840  1
  S  S61  1  0.2066  0.8330  0.5823  1
  S  S62  1  0.2920  0.3322  0.0828  1
  S  S63  1  0.3512  0.3141  0.4182  1
  S  S64  1  0.3525  0.3539  0.7480  1
  S  S65  1  0.3531  0.9824  0.0849  1
  S  S66  1  0.6441  0.6462  0.2516  1
  S  S67  1  0.6454  0.0187  0.9166  1
  S  S68  1  0.6458  0.3119  0.9157  1
  S  S69  1  0.6471  0.9781  0.5825  1
  S  S70  1  0.7089  0.9974  0.2499  1
  S  S71  1  0.7104  0.6669  0.9167  1
  S  S72  1  0.7912  0.4960  0.7500  1
  S  S73  1  0.7944  0.1674  0.4168  1
  S  S74  1  0.8521  0.4797  0.0822  1
  S  S75  1  0.8532  0.8108  0.4162  1
  S  S76  1  0.8543  0.5184  0.4167  1
  S  S77  1  0.8559  0.1462  0.7516  1
  O  O78  1  0.0636  0.0890  0.5893  1
  O  O79  1  0.0678  0.4261  0.9274  1
  O  O80  1  0.0735  0.5577  0.8560  1
  O  O81  1  0.0756  0.7713  0.2523  1
  O  O82  1  0.0766  0.9000  0.9127  1
  O  O83  1  0.0795  0.5686  0.5758  1
  O  O84  1  0.0811  0.1065  0.3035  1
  O  O85  1  0.0812  0.7739  0.9699  1
  O  O86  1  0.0819  0.4468  0.6367  1
  O  O87  1  0.0822  0.2206  0.5204  1
  O  O88  1  0.0823  0.2298  0.2446  1
  O  O89  1  0.0854  0.9010  0.1977  1
  O  O90  1  0.0869  0.5814  0.2519  1
  O  O91  1  0.0979  0.0792  0.9124  1
  O  O92  1  0.0992  0.2486  0.9258  1
  O  O93  1  0.1000  0.4136  0.2440  1
  O  O94  1  0.1085  0.7569  0.5725  1
  O  O95  1  0.1089  0.9100  0.5866  1
  O  O96  1  0.1100  0.5858  0.9689  1
  O  O97  1  0.1109  0.0871  0.2003  1
  O  O98  1  0.1237  0.9072  0.3010  1
  O  O99  1  0.1252  0.4304  0.5322  1
  O  O100  1  0.1279  0.7622  0.8672  1
  O  O101  1  0.1315  0.2433  0.6383  1
  O  O102  1  0.1707  0.6441  0.7500  1
  O  O103  1  0.1732  0.0172  0.4121  1
  O  O104  1  0.1733  0.6712  0.0760  1
  O  O105  1  0.1834  0.6527  0.4722  1
  O  O106  1  0.1857  0.3488  0.7435  1
  O  O107  1  0.1874  0.3240  0.4242  1
  O  O108  1  0.1877  0.0169  0.6939  1
  O  O109  1  0.1894  0.9937  0.0933  1
  O  O110  1  0.1912  0.9915  0.8057  1
  O  O111  1  0.1978  0.3462  0.0318  1
  O  O112  1  0.2024  0.6894  0.3602  1
  O  O113  1  0.2068  0.3174  0.1352  1
  O  O114  1  0.2925  0.8185  0.6341  1
  O  O115  1  0.2998  0.1882  0.8617  1
  O  O116  1  0.3007  0.8467  0.5306  1
  O  O117  1  0.3091  0.4896  0.3058  1
  O  O118  1  0.3094  0.1470  0.2527  1
  O  O119  1  0.3112  0.4919  0.5901  1
  O  O120  1  0.3116  0.5147  0.1939  1
  O  O121  1  0.3123  0.8244  0.9252  1
  O  O122  1  0.3134  0.8501  0.2436  1
  O  O123  1  0.3166  0.1528  0.9734  1
  O  O124  1  0.3245  0.1712  0.5760  1
  O  O125  1  0.3273  0.5131  0.9158  1
  O  O126  1  0.3630  0.7420  0.1394  1
  O  O127  1  0.3702  0.2614  0.3658  1
  O  O128  1  0.3732  0.9300  0.0339  1
  O  O129  1  0.3763  0.4031  0.8016  1
  O  O130  1  0.3895  0.0878  0.4666  1
  O  O131  1  0.3896  0.4092  0.0879  1
  O  O132  1  0.3907  0.5785  0.6975  1
  O  O133  1  0.3912  0.2561  0.0738  1
  O  O134  1  0.4010  0.7497  0.4253  1
  O  O135  1  0.4019  0.5798  0.4107  1
  O  O136  1  0.4026  0.9180  0.7434  1
  O  O137  1  0.4111  0.0844  0.7514  1
  O  O138  1  0.4153  0.3968  0.6972  1
  O  O139  1  0.4185  0.9474  0.1383  1
  O  O140  1  0.4191  0.2729  0.4685  1
  O  O141  1  0.4195  0.7218  0.0220  1
  O  O142  1  0.4203  0.0692  0.0767  1
  O  O143  1  0.4207  0.7393  0.7479  1
  O  O144  1  0.4222  0.0595  0.3525  1
  O  O145  1  0.4231  0.2687  0.7520  1
  O  O146  1  0.4234  0.6079  0.8110  1
  O  O147  1  0.4234  0.3991  0.4114  1
  O  O148  1  0.4323  0.9272  0.4247  1
  O  O149  1  0.4351  0.5893  0.0906  1
  O  O150  1  0.5636  0.2578  0.2550  1
  O  O151  1  0.5719  0.9349  0.9237  1
  O  O152  1  0.5735  0.5945  0.5888  1
  O  O153  1  0.5744  0.7360  0.5263  1
  O  O154  1  0.5753  0.7317  0.2483  1
  O  O155  1  0.5758  0.4027  0.1942  1
  O  O156  1  0.5770  0.3974  0.9118  1
  O  O157  1  0.5789  0.9457  0.6355  1
  O  O158  1  0.5792  0.2684  0.9673  1
  O  O159  1  0.5809  0.6031  0.3031  1
  O  O160  1  0.5832  0.0657  0.5728  1
  O  O161  1  0.5871  0.0582  0.8636  1
  O  O162  1  0.5883  0.4157  0.5933  1
  O  O163  1  0.6023  0.2469  0.5718  1
  O  O164  1  0.6056  0.7421  0.9201  1
  O  O165  1  0.6084  0.9224  0.2445  1
  O  O166  1  0.6092  0.4158  0.3069  1
  O  O167  1  0.6122  0.0748  0.9677  1
  O  O168  1  0.6148  0.0754  0.2517  1
  O  O169  1  0.6149  0.9246  0.5319  1
  O  O170  1  0.6163  0.5879  0.9150  1
  O  O171  1  0.6174  0.5935  0.1994  1
  O  O172  1  0.6261  0.2601  0.8640  1
  O  O173  1  0.6308  0.7476  0.6386  1
  O  O174  1  0.6711  0.1749  0.0731  1
  O  O175  1  0.6791  0.8558  0.7490  1
  O  O176  1  0.6887  0.4881  0.0887  1
  O  O177  1  0.6906  0.5109  0.4127  1
  O  O178  1  0.6913  0.8222  0.4245  1
  O  O179  1  0.6917  0.1522  0.7574  1
  O  O180  1  0.6941  0.5043  0.6986  1
  O  O181  1  0.7006  0.1575  0.4672  1
  O  O182  1  0.7024  0.8603  0.0270  1
  O  O183  1  0.7033  0.4813  0.8024  1
  O  O184  1  0.7087  0.1801  0.3634  1
  O  O185  1  0.7091  0.8170  0.1430  1
  O  O186  1  0.7917  0.3600  0.5257  1
  O  O187  1  0.7933  0.3146  0.6413  1
  O  O188  1  0.7980  0.6789  0.8646  1
  O  O189  1  0.7993  0.9864  0.3023  1
  O  O190  1  0.8038  0.6602  0.9687  1
  O  O191  1  0.8080  0.3218  0.9252  1
  O  O192  1  0.8084  0.0070  0.1989  1
  O  O193  1  0.8084  0.6524  0.2574  1
  O  O194  1  0.8089  0.0113  0.9137  1
  O  O195  1  0.8105  0.9878  0.5877  1
  O  O196  1  0.8224  0.3497  0.2496  1
  O  O197  1  0.8281  0.6750  0.5705  1
  O  O198  1  0.8743  0.2438  0.1415  1
  O  O199  1  0.8744  0.7610  0.3633  1
  O  O200  1  0.8818  0.5743  0.7523  1
  O  O201  1  0.8827  0.0937  0.6995  1
  O  O202  1  0.8840  0.4245  0.0329  1
  O  O203  1  0.8875  0.5742  0.4669  1
  O  O204  1  0.8896  0.0883  0.4120  1
  O  O205  1  0.8928  0.9174  0.8070  1
  O  O206  1  0.8959  0.4214  0.7440  1
  O  O207  1  0.8976  0.7465  0.0732  1
  O  O208  1  0.8980  0.2420  0.4200  1
  O  O209  1  0.9075  0.9152  0.0927  1
  O  O210  1  0.9123  0.5570  0.3627  1
  O  O211  1  0.9157  0.5666  0.0733  1
  O  O212  1  0.9193  0.1033  0.8033  1
  O  O213  1  0.9206  0.4479  0.1361  1
  O  O214  1  0.9207  0.7681  0.4669  1
  O  O215  1  0.9223  0.8972  0.4124  1
  O  O216  1  0.9247  0.2316  0.7484  1
  O  O217  1  0.9257  0.2359  0.0279  1
  O  O218  1  0.9266  0.9045  0.6944  1
  O  O219  1  0.9274  0.0944  0.0913  1
  O  O220  1  0.9274  0.4339  0.4228  1
  O  O221  1  0.9303  0.7597  0.7554  1
]