data_[Na30Hf12Ga12Si21S15O144]
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
  Ga  1.8100  1.3000  0.7600
  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 [8.9104]
_cell_length_b [15.5693]
_cell_length_c [22.5033]
_cell_angle_alpha [91.2937]
_cell_angle_beta [90.2635]
_cell_angle_gamma [90.1554]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Hf4Ga4Si7S5O48]
_chemical_formula_sum '[Na30 Hf12 Ga12 Si21 S15 O144]'
_cell_volume [3120.9974]
_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  0.0056  0.3343  0.3266  1
  Na  Na1  1  0.0078  0.6777  0.1586  1
  Na  Na2  1  0.0147  0.0245  0.4951  1
  Na  Na3  1  0.0180  0.3391  0.8311  1
  Na  Na4  1  0.1398  0.4928  0.7599  1
  Na  Na5  1  0.1768  0.4906  0.4093  1
  Na  Na6  1  0.1851  0.8527  0.4079  1
  Na  Na7  1  0.1890  0.1841  0.7445  1
  Na  Na8  1  0.3105  0.6839  0.2400  1
  Na  Na9  1  0.3139  0.0185  0.5773  1
  Na  Na10  1  0.3191  0.6578  0.5784  1
  Na  Na11  1  0.3216  0.9907  0.9087  1
  Na  Na12  1  0.3634  0.9930  0.2549  1
  Na  Na13  1  0.4725  0.5195  0.9933  1
  Na  Na14  1  0.5006  0.1786  0.6645  1
  Na  Na15  1  0.5032  0.8447  0.8241  1
  Na  Na16  1  0.5048  0.8331  0.3281  1
  Na  Na17  1  0.5090  0.1778  0.1580  1
  Na  Na18  1  0.5268  0.5194  0.4938  1
  Na  Na19  1  0.6781  0.9877  0.4091  1
  Na  Na20  1  0.6868  0.6852  0.7423  1
  Na  Na21  1  0.6871  0.3538  0.4035  1
  Na  Na22  1  0.8113  0.1841  0.2392  1
  Na  Na23  1  0.8142  0.8514  0.9037  1
  Na  Na24  1  0.8228  0.4886  0.9096  1
  Na  Na25  1  0.8641  0.4934  0.2548  1
  Na  Na26  1  0.8675  0.8266  0.5919  1
  Na  Na27  1  0.8678  0.1580  0.9232  1
  Na  Na28  1  0.9875  0.6729  0.6633  1
  Na  Na29  1  0.9916  0.0146  0.9976  1
  Hf  Hf30  1  0.0087  0.6636  0.3127  1
  Hf  Hf31  1  0.0089  0.9991  0.6476  1
  Hf  Hf32  1  0.0115  0.3306  0.9794  1
  Hf  Hf33  1  0.4870  0.4993  0.1444  1
  Hf  Hf34  1  0.4881  0.8281  0.4800  1
  Hf  Hf35  1  0.4900  0.1617  0.8121  1
  Hf  Hf36  1  0.5036  0.8249  0.9804  1
  Hf  Hf37  1  0.5088  0.1645  0.3120  1
  Hf  Hf38  1  0.5130  0.4946  0.6468  1
  Hf  Hf39  1  0.9867  0.9998  0.1445  1
  Hf  Hf40  1  0.9909  0.6651  0.8127  1
  Hf  Hf41  1  0.9958  0.3270  0.4801  1
  Ga  Ga42  1  0.0026  0.9985  0.8493  1
  Ga  Ga43  1  0.0173  0.3335  0.6889  1
  Ga  Ga44  1  0.0198  0.6539  0.0155  1
  Ga  Ga45  1  0.4796  0.8362  0.1854  1
  Ga  Ga46  1  0.4850  0.1610  0.5146  1
  Ga  Ga47  1  0.5005  0.4972  0.8535  1
  Ga  Ga48  1  0.5010  0.8334  0.6866  1
  Ga  Ga49  1  0.5010  0.5026  0.3511  1
  Ga  Ga50  1  0.5189  0.1582  0.0149  1
  Ga  Ga51  1  0.9808  0.3370  0.1849  1
  Ga  Ga52  1  0.9953  0.6619  0.5197  1
  Ga  Ga53  1  0.9985  0.0012  0.3518  1
  Si  Si54  1  0.1398  0.8562  0.2506  1
  Si  Si55  1  0.1575  0.1905  0.5863  1
  Si  Si56  1  0.1603  0.5193  0.9144  1
  Si  Si57  1  0.2079  0.8291  0.5839  1
  Si  Si58  1  0.2083  0.4908  0.2519  1
  Si  Si59  1  0.2149  0.1626  0.9192  1
  Si  Si60  1  0.2945  0.6605  0.4193  1
  Si  Si61  1  0.2958  0.9916  0.7521  1
  Si  Si62  1  0.3407  0.6883  0.0854  1
  Si  Si63  1  0.3420  0.0206  0.4160  1
  Si  Si64  1  0.3605  0.3556  0.7506  1
  Si  Si65  1  0.6403  0.3563  0.2506  1
  Si  Si66  1  0.6503  0.6864  0.5856  1
  Si  Si67  1  0.6557  0.0195  0.9159  1
  Si  Si68  1  0.7078  0.9908  0.2518  1
  Si  Si69  1  0.7145  0.6606  0.9207  1
  Si  Si70  1  0.7869  0.1615  0.4195  1
  Si  Si71  1  0.7935  0.4909  0.7530  1
  Si  Si72  1  0.8431  0.1900  0.0832  1
  Si  Si73  1  0.8460  0.5233  0.4170  1
  Si  Si74  1  0.8490  0.8550  0.7499  1
  S  S75  1  0.1406  0.1464  0.2507  1
  S  S76  1  0.1444  0.4804  0.5855  1
  S  S77  1  0.1444  0.8116  0.9198  1
  S  S78  1  0.2899  0.3286  0.0861  1
  S  S79  1  0.3548  0.3110  0.4194  1
  S  S80  1  0.3554  0.9827  0.0844  1
  S  S81  1  0.3585  0.6452  0.7500  1
  S  S82  1  0.6412  0.6467  0.2504  1
  S  S83  1  0.6412  0.3125  0.9197  1
  S  S84  1  0.6441  0.9825  0.5829  1
  S  S85  1  0.7097  0.3290  0.5838  1
  S  S86  1  0.7884  0.8297  0.0850  1
  S  S87  1  0.8549  0.8122  0.4194  1
  S  S88  1  0.8551  0.4826  0.0849  1
  S  S89  1  0.8554  0.1486  0.7517  1
  O  O90  1  0.0631  0.4275  0.9218  1
  O  O91  1  0.0678  0.7587  0.2543  1
  O  O92  1  0.0727  0.1074  0.3037  1
  O  O93  1  0.0741  0.8979  0.9163  1
  O  O94  1  0.0742  0.2326  0.2457  1
  O  O95  1  0.0791  0.5680  0.5844  1
  O  O96  1  0.0796  0.9071  0.1927  1
  O  O97  1  0.0804  0.5647  0.8563  1
  O  O98  1  0.0815  0.0934  0.5886  1
  O  O99  1  0.0822  0.7706  0.9720  1
  O  O100  1  0.0859  0.2403  0.5295  1
  O  O101  1  0.0875  0.4383  0.6391  1
  O  O102  1  0.0948  0.4093  0.2401  1
  O  O103  1  0.0972  0.9137  0.5894  1
  O  O104  1  0.0979  0.2445  0.9239  1
  O  O105  1  0.0981  0.5777  0.2555  1
  O  O106  1  0.1019  0.7434  0.5761  1
  O  O107  1  0.1053  0.0769  0.9127  1
  O  O108  1  0.1077  0.4306  0.5302  1
  O  O109  1  0.1165  0.0924  0.1960  1
  O  O110  1  0.1165  0.9155  0.3110  1
  O  O111  1  0.1168  0.2448  0.6474  1
  O  O112  1  0.1205  0.7606  0.8641  1
  O  O113  1  0.1326  0.5763  0.9746  1
  O  O114  1  0.1579  0.6814  0.0775  1
  O  O115  1  0.1615  0.0041  0.4105  1
  O  O116  1  0.1751  0.3427  0.7472  1
  O  O117  1  0.1876  0.3253  0.4231  1
  O  O118  1  0.1879  0.6796  0.3611  1
  O  O119  1  0.1882  0.9889  0.0867  1
  O  O120  1  0.1886  0.0132  0.6948  1
  O  O121  1  0.1901  0.6476  0.4780  1
  O  O122  1  0.1917  0.6515  0.7547  1
  O  O123  1  0.1924  0.3250  0.1385  1
  O  O124  1  0.1944  0.9863  0.8126  1
  O  O125  1  0.1982  0.3417  0.0309  1
  O  O126  1  0.3021  0.8524  0.5232  1
  O  O127  1  0.3043  0.4807  0.3134  1
  O  O128  1  0.3050  0.1792  0.8574  1
  O  O129  1  0.3070  0.1526  0.2563  1
  O  O130  1  0.3118  0.4902  0.5868  1
  O  O131  1  0.3119  0.8268  0.9237  1
  O  O132  1  0.3178  0.5171  0.1973  1
  O  O133  1  0.3254  0.8436  0.2471  1
  O  O134  1  0.3265  0.8128  0.6370  1
  O  O135  1  0.3322  0.1483  0.9742  1
  O  O136  1  0.3390  0.5065  0.9080  1
  O  O137  1  0.3413  0.1769  0.5789  1
  O  O138  1  0.3712  0.0726  0.4791  1
  O  O139  1  0.3791  0.2595  0.3643  1
  O  O140  1  0.3813  0.5923  0.6936  1
  O  O141  1  0.3817  0.7432  0.1473  1
  O  O142  1  0.3827  0.2522  0.0804  1
  O  O143  1  0.3834  0.4224  0.8057  1
  O  O144  1  0.3867  0.4080  0.0881  1
  O  O145  1  0.3921  0.9304  0.0302  1
  O  O146  1  0.3945  0.5738  0.4104  1
  O  O147  1  0.3951  0.7490  0.4203  1
  O  O148  1  0.3960  0.0815  0.7536  1
  O  O149  1  0.3972  0.9074  0.7425  1
  O  O150  1  0.4134  0.9416  0.1394  1
  O  O151  1  0.4154  0.2692  0.4724  1
  O  O152  1  0.4159  0.7396  0.0302  1
  O  O153  1  0.4176  0.0691  0.3592  1
  O  O154  1  0.4179  0.4015  0.6897  1
  O  O155  1  0.4217  0.5932  0.0887  1
  O  O156  1  0.4235  0.0689  0.0822  1
  O  O157  1  0.4267  0.6047  0.8017  1
  O  O158  1  0.4268  0.7308  0.7458  1
  O  O159  1  0.4271  0.3962  0.4169  1
  O  O160  1  0.4334  0.2594  0.7548  1
  O  O161  1  0.4340  0.9273  0.4185  1
  O  O162  1  0.5590  0.5937  0.5877  1
  O  O163  1  0.5671  0.2591  0.2538  1
  O  O164  1  0.5695  0.9264  0.9240  1
  O  O165  1  0.5719  0.7377  0.5299  1
  O  O166  1  0.5730  0.6078  0.3035  1
  O  O167  1  0.5736  0.0684  0.5801  1
  O  O168  1  0.5738  0.0669  0.8604  1
  O  O169  1  0.5750  0.7329  0.2456  1
  O  O170  1  0.5782  0.9395  0.6340  1
  O  O171  1  0.5792  0.3992  0.9155  1
  O  O172  1  0.5806  0.4073  0.1930  1
  O  O173  1  0.5812  0.2724  0.9729  1
  O  O174  1  0.5952  0.9090  0.2399  1
  O  O175  1  0.5968  0.0774  0.2558  1
  O  O176  1  0.6123  0.7487  0.9253  1
  O  O177  1  0.6134  0.2530  0.5783  1
  O  O178  1  0.6139  0.5743  0.9119  1
  O  O179  1  0.6140  0.4090  0.5860  1
  O  O180  1  0.6167  0.4150  0.3114  1
  O  O181  1  0.6171  0.5925  0.1959  1
  O  O182  1  0.6181  0.9314  0.5263  1
  O  O183  1  0.6190  0.2579  0.8653  1
  O  O184  1  0.6246  0.7456  0.6460  1
  O  O185  1  0.6453  0.0834  0.9742  1
  O  O186  1  0.6592  0.1824  0.0772  1
  O  O187  1  0.6661  0.5043  0.4107  1
  O  O188  1  0.6673  0.8375  0.7458  1
  O  O189  1  0.6695  0.1508  0.4741  1
  O  O190  1  0.6850  0.5152  0.6968  1
  O  O191  1  0.6884  0.8267  0.1367  1
  O  O192  1  0.6884  0.4885  0.0876  1
  O  O193  1  0.6886  0.8260  0.4220  1
  O  O194  1  0.6905  0.1832  0.3590  1
  O  O195  1  0.6911  0.1592  0.7555  1
  O  O196  1  0.6967  0.4819  0.8135  1
  O  O197  1  0.7003  0.8428  0.0287  1
  O  O198  1  0.7988  0.3417  0.5279  1
  O  O199  1  0.8041  0.9816  0.3133  1
  O  O200  1  0.8074  0.6529  0.2563  1
  O  O201  1  0.8079  0.3242  0.6360  1
  O  O202  1  0.8106  0.9903  0.5876  1
  O  O203  1  0.8115  0.6832  0.8603  1
  O  O204  1  0.8118  0.3222  0.9240  1
  O  O205  1  0.8170  0.0179  0.1972  1
  O  O206  1  0.8258  0.3428  0.2471  1
  O  O207  1  0.8319  0.6795  0.5776  1
  O  O208  1  0.8324  0.6510  0.9758  1
  O  O209  1  0.8377  0.0063  0.9084  1
  O  O210  1  0.8826  0.7539  0.0808  1
  O  O211  1  0.8833  0.7585  0.3654  1
  O  O212  1  0.8841  0.5829  0.4749  1
  O  O213  1  0.8850  0.0946  0.6979  1
  O  O214  1  0.8853  0.2449  0.1451  1
  O  O215  1  0.8854  0.9097  0.0875  1
  O  O216  1  0.8872  0.9104  0.8109  1
  O  O217  1  0.8882  0.0753  0.4117  1
  O  O218  1  0.8890  0.2495  0.4243  1
  O  O219  1  0.8921  0.4299  0.0310  1
  O  O220  1  0.9023  0.5785  0.7548  1
  O  O221  1  0.9059  0.4097  0.7402  1
  O  O222  1  0.9106  0.9026  0.6903  1
  O  O223  1  0.9146  0.4420  0.1400  1
  O  O224  1  0.9147  0.2380  0.0254  1
  O  O225  1  0.9153  0.7734  0.4738  1
  O  O226  1  0.9192  0.5638  0.3565  1
  O  O227  1  0.9198  0.1101  0.8063  1
  O  O228  1  0.9226  0.5689  0.0828  1
  O  O229  1  0.9239  0.0944  0.0878  1
  O  O230  1  0.9271  0.8978  0.4154  1
  O  O231  1  0.9293  0.7584  0.7535  1
  O  O232  1  0.9294  0.2338  0.7470  1
  O  O233  1  0.9324  0.4277  0.4236  1
]