data_[Na6Hf24Si15S21O144]
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
  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 [8.9701]
_cell_length_b [15.4993]
_cell_length_c [23.3218]
_cell_angle_alpha [89.9508]
_cell_angle_beta [89.9351]
_cell_angle_gamma [89.9172]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Hf8Si5S7O48]
_chemical_formula_sum '[Na6 Hf24 Si15 S21 O144]'
_cell_volume [3242.4199]
_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  0.0047  0.0053  0.4989  1
  Na  Na1  1  0.0078  0.6579  0.8354  1
  Na  Na2  1  0.4964  0.1638  0.3399  1
  Na  Na3  1  0.4982  0.5062  0.9931  1
  Na  Na4  1  0.5089  0.1664  0.8293  1
  Na  Na5  1  0.9926  0.6639  0.3311  1
  Hf  Hf6  1  0.0023  0.3401  0.0247  1
  Hf  Hf7  1  0.0046  0.3392  0.3136  1
  Hf  Hf8  1  0.0124  0.6604  0.4814  1
  Hf  Hf9  1  0.0136  0.6623  0.6865  1
  Hf  Hf10  1  0.0139  0.6580  0.9761  1
  Hf  Hf11  1  0.0147  0.3322  0.5184  1
  Hf  Hf12  1  0.4851  0.1595  0.4782  1
  Hf  Hf13  1  0.4868  0.1614  0.9783  1
  Hf  Hf14  1  0.4870  0.8313  0.0164  1
  Hf  Hf15  1  0.4907  0.4970  0.6477  1
  Hf  Hf16  1  0.4914  0.1677  0.1837  1
  Hf  Hf17  1  0.4943  0.8376  0.8123  1
  Hf  Hf18  1  0.4993  0.8394  0.5273  1
  Hf  Hf19  1  0.5012  0.5005  0.8523  1
  Hf  Hf20  1  0.5038  0.5014  0.1466  1
  Hf  Hf21  1  0.5066  0.5016  0.3575  1
  Hf  Hf22  1  0.5069  0.1615  0.6901  1
  Hf  Hf23  1  0.5137  0.8395  0.3107  1
  Hf  Hf24  1  0.9890  0.3445  0.8073  1
  Hf  Hf25  1  0.9893  0.9989  0.3565  1
  Hf  Hf26  1  0.9919  0.6604  0.1894  1
  Hf  Hf27  1  0.9937  0.0024  0.8570  1
  Hf  Hf28  1  0.9962  0.9974  0.1435  1
  Hf  Hf29  1  0.9971  0.0002  0.6476  1
  Si  Si30  1  0.1434  0.1887  0.4146  1
  Si  Si31  1  0.1462  0.4793  0.4161  1
  Si  Si32  1  0.1505  0.5233  0.0847  1
  Si  Si33  1  0.2049  0.1660  0.0827  1
  Si  Si34  1  0.2134  0.5008  0.7515  1
  Si  Si35  1  0.2968  0.6648  0.5835  1
  Si  Si36  1  0.3481  0.0240  0.5852  1
  Si  Si37  1  0.3528  0.9779  0.9154  1
  Si  Si38  1  0.3576  0.6869  0.9144  1
  Si  Si39  1  0.6378  0.3556  0.7491  1
  Si  Si40  1  0.6428  0.9771  0.4182  1
  Si  Si41  1  0.7114  0.9972  0.7508  1
  Si  Si42  1  0.7880  0.4971  0.2507  1
  Si  Si43  1  0.8492  0.4764  0.9175  1
  Si  Si44  1  0.8624  0.8553  0.2496  1
  S  S45  1  0.1410  0.8560  0.7503  1
  S  S46  1  0.1433  0.1438  0.7511  1
  S  S47  1  0.1438  0.8099  0.0838  1
  S  S48  1  0.2119  0.8323  0.4164  1
  S  S49  1  0.2878  0.3325  0.9167  1
  S  S50  1  0.2882  0.0005  0.2499  1
  S  S51  1  0.3559  0.6444  0.2511  1
  S  S52  1  0.3581  0.3099  0.5833  1
  S  S53  1  0.3584  0.3554  0.2501  1
  S  S54  1  0.6436  0.0224  0.0831  1
  S  S55  1  0.6438  0.3104  0.0830  1
  S  S56  1  0.6443  0.6910  0.4170  1
  S  S57  1  0.6457  0.6456  0.7492  1
  S  S58  1  0.7112  0.6686  0.0829  1
  S  S59  1  0.7136  0.3328  0.4172  1
  S  S60  1  0.7869  0.8330  0.9171  1
  S  S61  1  0.7887  0.1683  0.5828  1
  S  S62  1  0.8540  0.5216  0.5832  1
  S  S63  1  0.8545  0.1445  0.2494  1
  S  S64  1  0.8554  0.1905  0.9171  1
  S  S65  1  0.8573  0.8104  0.5833  1
  O  O66  1  0.0673  0.5750  0.4231  1
  O  O67  1  0.0686  0.4348  0.3603  1
  O  O68  1  0.0689  0.7702  0.7429  1
  O  O69  1  0.0696  0.2331  0.4723  1
  O  O70  1  0.0738  0.7734  0.0323  1
  O  O71  1  0.0750  0.2276  0.7597  1
  O  O72  1  0.0757  0.8971  0.8015  1
  O  O73  1  0.0758  0.4296  0.0743  1
  O  O74  1  0.0761  0.5707  0.1399  1
  O  O75  1  0.0768  0.0912  0.4076  1
  O  O76  1  0.0794  0.1018  0.6989  1
  O  O77  1  0.0807  0.8983  0.0929  1
  O  O78  1  0.0995  0.5852  0.7430  1
  O  O79  1  0.1027  0.2481  0.0708  1
  O  O80  1  0.1079  0.2471  0.3586  1
  O  O81  1  0.1084  0.0810  0.0975  1
  O  O82  1  0.1090  0.7571  0.4239  1
  O  O83  1  0.1101  0.4206  0.4727  1
  O  O84  1  0.1124  0.4150  0.7585  1
  O  O85  1  0.1147  0.9092  0.6980  1
  O  O86  1  0.1179  0.9112  0.4097  1
  O  O87  1  0.1179  0.7571  0.1352  1
  O  O88  1  0.1193  0.0872  0.8019  1
  O  O89  1  0.1205  0.5838  0.0284  1
  O  O90  1  0.1675  0.0115  0.5919  1
  O  O91  1  0.1748  0.6846  0.9224  1
  O  O92  1  0.1762  0.9892  0.9041  1
  O  O93  1  0.1813  0.6815  0.6377  1
  O  O94  1  0.1818  0.6516  0.5285  1
  O  O95  1  0.1929  0.6542  0.2434  1
  O  O96  1  0.1930  0.3194  0.5749  1
  O  O97  1  0.1954  0.3425  0.9689  1
  O  O98  1  0.1961  0.9895  0.1982  1
  O  O99  1  0.1971  0.3438  0.2566  1
  O  O100  1  0.1993  0.0179  0.3014  1
  O  O101  1  0.1996  0.3153  0.8655  1
  O  O102  1  0.3017  0.8176  0.3642  1
  O  O103  1  0.3030  0.8452  0.7565  1
  O  O104  1  0.3045  0.8439  0.4677  1
  O  O105  1  0.3069  0.1527  0.7434  1
  O  O106  1  0.3078  0.8204  0.0758  1
  O  O107  1  0.3136  0.4894  0.6940  1
  O  O108  1  0.3144  0.5200  0.8074  1
  O  O109  1  0.3196  0.1800  0.1386  1
  O  O110  1  0.3214  0.1511  0.0293  1
  O  O111  1  0.3231  0.4894  0.4034  1
  O  O112  1  0.3258  0.1840  0.4222  1
  O  O113  1  0.3311  0.5109  0.0933  1
  O  O114  1  0.3791  0.0828  0.5277  1
  O  O115  1  0.3813  0.5888  0.3020  1
  O  O116  1  0.3818  0.9226  0.2574  1
  O  O117  1  0.3823  0.2565  0.6344  1
  O  O118  1  0.3831  0.4098  0.9118  1
  O  O119  1  0.3863  0.4075  0.1980  1
  O  O120  1  0.3898  0.9212  0.9732  1
  O  O121  1  0.3915  0.2560  0.9254  1
  O  O122  1  0.3921  0.0768  0.2414  1
  O  O123  1  0.3928  0.7477  0.8596  1
  O  O124  1  0.3950  0.7491  0.5697  1
  O  O125  1  0.3994  0.5818  0.5934  1
  O  O126  1  0.4216  0.6036  0.1991  1
  O  O127  1  0.4227  0.3966  0.5898  1
  O  O128  1  0.4229  0.7298  0.2600  1
  O  O129  1  0.4237  0.0713  0.6395  1
  O  O130  1  0.4241  0.9306  0.5743  1
  O  O131  1  0.4247  0.2703  0.5313  1
  O  O132  1  0.4252  0.3949  0.3014  1
  O  O133  1  0.4281  0.5912  0.9118  1
  O  O134  1  0.4282  0.7339  0.9726  1
  O  O135  1  0.4301  0.2677  0.2425  1
  O  O136  1  0.4320  0.0737  0.9234  1
  O  O137  1  0.4321  0.9339  0.8602  1
  O  O138  1  0.5607  0.2605  0.7403  1
  O  O139  1  0.5669  0.4005  0.8061  1
  O  O140  1  0.5676  0.9330  0.3607  1
  O  O141  1  0.5743  0.3969  0.0914  1
  O  O142  1  0.5758  0.0754  0.4234  1
  O  O143  1  0.5766  0.2701  0.0322  1
  O  O144  1  0.5773  0.7285  0.4679  1
  O  O145  1  0.5780  0.0655  0.1350  1
  O  O146  1  0.5780  0.6038  0.4075  1
  O  O147  1  0.5784  0.9369  0.0761  1
  O  O148  1  0.5785  0.7308  0.7585  1
  O  O149  1  0.5804  0.6052  0.6979  1
  O  O150  1  0.6064  0.0836  0.7442  1
  O  O151  1  0.6117  0.9121  0.7599  1
  O  O152  1  0.6123  0.9154  0.4723  1
  O  O153  1  0.6132  0.5905  0.0911  1
  O  O154  1  0.6135  0.2570  0.1355  1
  O  O155  1  0.6136  0.7430  0.3642  1
  O  O156  1  0.6152  0.4155  0.6926  1
  O  O157  1  0.6154  0.7451  0.0759  1
  O  O158  1  0.6158  0.2571  0.4247  1
  O  O159  1  0.6173  0.4102  0.4081  1
  O  O160  1  0.6194  0.0780  0.0323  1
  O  O161  1  0.6255  0.5910  0.8012  1
  O  O162  1  0.6703  0.4872  0.9113  1
  O  O163  1  0.6772  0.5127  0.3056  1
  O  O164  1  0.6800  0.4885  0.1944  1
  O  O165  1  0.6818  0.8436  0.2604  1
  O  O166  1  0.6885  0.1527  0.2413  1
  O  O167  1  0.6906  0.1795  0.9254  1
  O  O168  1  0.6940  0.5146  0.5906  1
  O  O169  1  0.6940  0.8482  0.9690  1
  O  O170  1  0.6950  0.8185  0.8656  1
  O  O171  1  0.6953  0.8199  0.5758  1
  O  O172  1  0.6956  0.1537  0.5314  1
  O  O173  1  0.6969  0.1802  0.6348  1
  O  O174  1  0.8029  0.6803  0.1353  1
  O  O175  1  0.8038  0.6538  0.0320  1
  O  O176  1  0.8052  0.3182  0.0772  1
  O  O177  1  0.8053  0.3186  0.3653  1
  O  O178  1  0.8053  0.3479  0.4687  1
  O  O179  1  0.8067  0.0155  0.0920  1
  O  O180  1  0.8083  0.6811  0.4228  1
  O  O181  1  0.8102  0.6565  0.7408  1
  O  O182  1  0.8158  0.3398  0.7596  1
  O  O183  1  0.8194  0.9886  0.6942  1
  O  O184  1  0.8224  0.0128  0.8056  1
  O  O185  1  0.8239  0.9872  0.4099  1
  O  O186  1  0.8791  0.0895  0.3009  1
  O  O187  1  0.8825  0.9104  0.9085  1
  O  O188  1  0.8827  0.2411  0.8652  1
  O  O189  1  0.8832  0.5775  0.5315  1
  O  O190  1  0.8840  0.2447  0.5749  1
  O  O191  1  0.8841  0.7574  0.9258  1
  O  O192  1  0.8846  0.7586  0.6351  1
  O  O193  1  0.8866  0.4165  0.9733  1
  O  O194  1  0.8867  0.0902  0.5904  1
  O  O195  1  0.8885  0.4120  0.2598  1
  O  O196  1  0.8898  0.9168  0.1939  1
  O  O197  1  0.8932  0.5834  0.2443  1
  O  O198  1  0.9191  0.2296  0.2577  1
  O  O199  1  0.9199  0.1031  0.1979  1
  O  O200  1  0.9208  0.1023  0.9090  1
  O  O201  1  0.9219  0.2277  0.9690  1
  O  O202  1  0.9224  0.5742  0.9246  1
  O  O203  1  0.9230  0.7706  0.5313  1
  O  O204  1  0.9235  0.5638  0.6340  1
  O  O205  1  0.9235  0.4363  0.5739  1
  O  O206  1  0.9256  0.8982  0.5899  1
  O  O207  1  0.9307  0.4333  0.8618  1
  O  O208  1  0.9350  0.9028  0.3053  1
  O  O209  1  0.9362  0.7604  0.2409  1
]