data_[Na30Hf12Ti12Si27S9O144]
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
  Ti  1.5400  1.4000  0.8517
  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 [9.0072]
_cell_length_b [15.5590]
_cell_length_c [22.6040]
_cell_angle_alpha [90.2626]
_cell_angle_beta [90.0882]
_cell_angle_gamma [90.0376]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Hf4Ti4Si9(SO16)3]
_chemical_formula_sum '[Na30 Hf12 Ti12 Si27 S9 O144]'
_cell_volume [3167.7757]
_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  0.0013  0.6570  0.8314  1
  Na  Na1  1  0.0020  0.9985  0.5009  1
  Na  Na2  1  0.0091  0.6600  0.3306  1
  Na  Na3  1  0.1414  0.8334  0.9205  1
  Na  Na4  1  0.1786  0.1817  0.2508  1
  Na  Na5  1  0.1788  0.5168  0.9163  1
  Na  Na6  1  0.1835  0.4793  0.5799  1
  Na  Na7  1  0.1914  0.1490  0.9137  1
  Na  Na8  1  0.3114  0.9812  0.0803  1
  Na  Na9  1  0.3152  0.3159  0.7461  1
  Na  Na10  1  0.3172  0.6473  0.4165  1
  Na  Na11  1  0.3207  0.0179  0.4165  1
  Na  Na12  1  0.3656  0.3359  0.4163  1
  Na  Na13  1  0.4887  0.8271  0.1688  1
  Na  Na14  1  0.4984  0.8247  0.6671  1
  Na  Na15  1  0.5001  0.4933  0.0009  1
  Na  Na16  1  0.5013  0.1556  0.8303  1
  Na  Na17  1  0.5048  0.4974  0.5018  1
  Na  Na18  1  0.5101  0.1612  0.3323  1
  Na  Na19  1  0.6794  0.6806  0.2500  1
  Na  Na20  1  0.6826  0.6515  0.9169  1
  Na  Na21  1  0.6858  0.9822  0.5810  1
  Na  Na22  1  0.8085  0.8156  0.7462  1
  Na  Na23  1  0.8130  0.4849  0.0816  1
  Na  Na24  1  0.8151  0.1508  0.4166  1
  Na  Na25  1  0.8200  0.5164  0.4163  1
  Na  Na26  1  0.8610  0.8328  0.4191  1
  Na  Na27  1  0.9906  0.3284  0.1701  1
  Na  Na28  1  0.9943  0.9938  0.0016  1
  Na  Na29  1  0.9948  0.3247  0.6624  1
  Hf  Hf30  1  0.0000  0.0054  0.3525  1
  Hf  Hf31  1  0.0016  0.3350  0.0225  1
  Hf  Hf32  1  0.0094  0.3397  0.8104  1
  Hf  Hf33  1  0.0113  0.0026  0.1482  1
  Hf  Hf34  1  0.4924  0.1722  0.9813  1
  Hf  Hf35  1  0.4990  0.8260  0.0203  1
  Hf  Hf36  1  0.5021  0.5038  0.8530  1
  Hf  Hf37  1  0.5029  0.8249  0.5204  1
  Hf  Hf38  1  0.5034  0.8321  0.8149  1
  Hf  Hf39  1  0.5057  0.1720  0.1882  1
  Hf  Hf40  1  0.9901  0.0062  0.6449  1
  Hf  Hf41  1  0.9976  0.0033  0.8501  1
  Ti  Ti42  1  0.0050  0.3254  0.5177  1
  Ti  Ti43  1  0.0085  0.6678  0.1861  1
  Ti  Ti44  1  0.0095  0.6714  0.4790  1
  Ti  Ti45  1  0.4815  0.5076  0.6452  1
  Ti  Ti46  1  0.4827  0.8339  0.3163  1
  Ti  Ti47  1  0.5016  0.5083  0.3520  1
  Ti  Ti48  1  0.5025  0.1683  0.6854  1
  Ti  Ti49  1  0.5084  0.1763  0.4788  1
  Ti  Ti50  1  0.5230  0.5070  0.1474  1
  Ti  Ti51  1  0.9827  0.3361  0.3159  1
  Ti  Ti52  1  0.9879  0.6738  0.9784  1
  Ti  Ti53  1  0.9960  0.6637  0.6844  1
  Si  Si54  1  0.1413  0.8098  0.0837  1
  Si  Si55  1  0.1431  0.4756  0.4178  1
  Si  Si56  1  0.1486  0.1914  0.4149  1
  Si  Si57  1  0.1527  0.1475  0.7494  1
  Si  Si58  1  0.2052  0.1683  0.0851  1
  Si  Si59  1  0.2066  0.5061  0.7482  1
  Si  Si60  1  0.2096  0.8336  0.4183  1
  Si  Si61  1  0.2831  0.6696  0.5848  1
  Si  Si62  1  0.2941  0.3339  0.9160  1
  Si  Si63  1  0.3020  0.9970  0.2513  1
  Si  Si64  1  0.3467  0.6866  0.9162  1
  Si  Si65  1  0.3530  0.6444  0.2491  1
  Si  Si66  1  0.3568  0.3122  0.5845  1
  Si  Si67  1  0.3574  0.9803  0.9178  1
  Si  Si68  1  0.6399  0.9777  0.4179  1
  Si  Si69  1  0.6437  0.3177  0.0849  1
  Si  Si70  1  0.6484  0.6443  0.7469  1
  Si  Si71  1  0.6491  0.6882  0.4128  1
  Si  Si72  1  0.6994  0.0030  0.7479  1
  Si  Si73  1  0.7135  0.3367  0.4184  1
  Si  Si74  1  0.7168  0.6703  0.0860  1
  Si  Si75  1  0.7856  0.1732  0.5818  1
  Si  Si76  1  0.7917  0.8372  0.9179  1
  Si  Si77  1  0.7953  0.4999  0.2513  1
  Si  Si78  1  0.8528  0.1512  0.2515  1
  Si  Si79  1  0.8533  0.4805  0.9191  1
  Si  Si80  1  0.8604  0.8100  0.5839  1
  S  S81  1  0.1463  0.8537  0.7481  1
  S  S82  1  0.1495  0.5249  0.0838  1
  S  S83  1  0.3546  0.3595  0.2500  1
  S  S84  1  0.3559  0.0243  0.5828  1
  S  S85  1  0.6447  0.3550  0.7474  1
  S  S86  1  0.6469  0.0218  0.0836  1
  S  S87  1  0.8523  0.5226  0.5826  1
  S  S88  1  0.8530  0.8529  0.2495  1
  S  S89  1  0.8538  0.1893  0.9158  1
  O  O90  1  0.0588  0.4289  0.3617  1
  O  O91  1  0.0623  0.9044  0.0883  1
  O  O92  1  0.0640  0.2356  0.4723  1
  O  O93  1  0.0673  0.5716  0.4251  1
  O  O94  1  0.0703  0.7683  0.7445  1
  O  O95  1  0.0712  0.0952  0.4130  1
  O  O96  1  0.0729  0.4382  0.0799  1
  O  O97  1  0.0734  0.2424  0.7540  1
  O  O98  1  0.0748  0.7605  0.0245  1
  O  O99  1  0.0756  0.5649  0.1362  1
  O  O100  1  0.0797  0.0963  0.6937  1
  O  O101  1  0.0801  0.8938  0.8030  1
  O  O102  1  0.0975  0.9145  0.4097  1
  O  O103  1  0.0993  0.5885  0.7394  1
  O  O104  1  0.1004  0.2519  0.0786  1
  O  O105  1  0.1031  0.7465  0.1402  1
  O  O106  1  0.1057  0.0788  0.0873  1
  O  O107  1  0.1081  0.7453  0.4235  1
  O  O108  1  0.1089  0.4161  0.7511  1
  O  O109  1  0.1134  0.9073  0.6965  1
  O  O110  1  0.1182  0.4158  0.4768  1
  O  O111  1  0.1210  0.5733  0.0290  1
  O  O112  1  0.1227  0.2512  0.3571  1
  O  O113  1  0.1245  0.0918  0.8101  1
  O  O114  1  0.1683  0.6746  0.9256  1
  O  O115  1  0.1686  0.6745  0.6402  1
  O  O116  1  0.1732  0.6539  0.2410  1
  O  O117  1  0.1743  0.9924  0.9114  1
  O  O118  1  0.1758  0.3265  0.5766  1
  O  O119  1  0.1816  0.6503  0.5246  1
  O  O120  1  0.1823  0.3480  0.9718  1
  O  O121  1  0.1897  0.3144  0.8575  1
  O  O122  1  0.1918  0.3466  0.2543  1
  O  O123  1  0.1931  0.0133  0.3088  1
  O  O124  1  0.1940  0.0122  0.5894  1
  O  O125  1  0.1975  0.9822  0.1920  1
  O  O126  1  0.3066  0.5148  0.8078  1
  O  O127  1  0.3067  0.8440  0.7534  1
  O  O128  1  0.3083  0.1776  0.1438  1
  O  O129  1  0.3090  0.5127  0.0916  1
  O  O130  1  0.3096  0.1489  0.0266  1
  O  O131  1  0.3156  0.8544  0.4741  1
  O  O132  1  0.3159  0.8129  0.3604  1
  O  O133  1  0.3168  0.4862  0.6908  1
  O  O134  1  0.3211  0.8262  0.0814  1
  O  O135  1  0.3241  0.4863  0.4085  1
  O  O136  1  0.3272  0.1792  0.4253  1
  O  O137  1  0.3325  0.1636  0.7417  1
  O  O138  1  0.3694  0.7492  0.8597  1
  O  O139  1  0.3773  0.9211  0.9775  1
  O  O140  1  0.3813  0.0741  0.5282  1
  O  O141  1  0.3844  0.5802  0.5904  1
  O  O142  1  0.3866  0.5853  0.3094  1
  O  O143  1  0.3878  0.7537  0.5815  1
  O  O144  1  0.3894  0.4100  0.1977  1
  O  O145  1  0.3904  0.2521  0.6424  1
  O  O146  1  0.3926  0.4200  0.9097  1
  O  O147  1  0.3936  0.2464  0.9206  1
  O  O148  1  0.3938  0.0872  0.2453  1
  O  O149  1  0.4050  0.9109  0.2580  1
  O  O150  1  0.4186  0.3967  0.3054  1
  O  O151  1  0.4211  0.2696  0.2463  1
  O  O152  1  0.4229  0.0662  0.6357  1
  O  O153  1  0.4248  0.5922  0.9109  1
  O  O154  1  0.4251  0.9318  0.8601  1
  O  O155  1  0.4284  0.2628  0.5255  1
  O  O156  1  0.4303  0.9386  0.5794  1
  O  O157  1  0.4313  0.0762  0.9219  1
  O  O158  1  0.4328  0.4086  0.5911  1
  O  O159  1  0.4340  0.7283  0.9727  1
  O  O160  1  0.4345  0.5922  0.1945  1
  O  O161  1  0.4410  0.7363  0.2570  1
  O  O162  1  0.5588  0.9275  0.3621  1
  O  O163  1  0.5616  0.7274  0.4703  1
  O  O164  1  0.5644  0.0738  0.4233  1
  O  O165  1  0.5656  0.4130  0.0927  1
  O  O166  1  0.5711  0.5918  0.4073  1
  O  O167  1  0.5716  0.9373  0.0791  1
  O  O168  1  0.5721  0.2687  0.7430  1
  O  O169  1  0.5733  0.5884  0.6920  1
  O  O170  1  0.5739  0.7401  0.7503  1
  O  O171  1  0.5759  0.2700  0.0263  1
  O  O172  1  0.5761  0.3937  0.8016  1
  O  O173  1  0.5785  0.0638  0.1362  1
  O  O174  1  0.5987  0.0891  0.7388  1
  O  O175  1  0.6021  0.9146  0.7537  1
  O  O176  1  0.6033  0.4185  0.4089  1
  O  O177  1  0.6090  0.2492  0.4244  1
  O  O178  1  0.6116  0.7542  0.0827  1
  O  O179  1  0.6144  0.5813  0.0921  1
  O  O180  1  0.6160  0.2545  0.1406  1
  O  O181  1  0.6174  0.4076  0.6951  1
  O  O182  1  0.6203  0.9196  0.4775  1
  O  O183  1  0.6210  0.0739  0.0299  1
  O  O184  1  0.6242  0.7500  0.3556  1
  O  O185  1  0.6251  0.5891  0.8076  1
  O  O186  1  0.6721  0.1784  0.6385  1
  O  O187  1  0.6741  0.1604  0.2470  1
  O  O188  1  0.6755  0.4954  0.9123  1
  O  O189  1  0.6788  0.5146  0.3076  1
  O  O190  1  0.6791  0.1535  0.5233  1
  O  O191  1  0.6798  0.8255  0.5802  1
  O  O192  1  0.6865  0.8505  0.9747  1
  O  O193  1  0.6889  0.4866  0.1919  1
  O  O194  1  0.6907  0.8421  0.2538  1
  O  O195  1  0.6908  0.5125  0.5899  1
  O  O196  1  0.6928  0.1760  0.9230  1
  O  O197  1  0.6962  0.8129  0.8581  1
  O  O198  1  0.8065  0.3432  0.7555  1
  O  O199  1  0.8079  0.9830  0.6904  1
  O  O200  1  0.8080  0.0105  0.0905  1
  O  O201  1  0.8103  0.0156  0.8051  1
  O  O202  1  0.8176  0.3135  0.3605  1
  O  O203  1  0.8184  0.6502  0.0264  1
  O  O204  1  0.8206  0.9868  0.4100  1
  O  O205  1  0.8236  0.3340  0.0799  1
  O  O206  1  0.8253  0.3529  0.4740  1
  O  O207  1  0.8264  0.6745  0.1438  1
  O  O208  1  0.8279  0.6753  0.4231  1
  O  O209  1  0.8290  0.6595  0.7390  1
  O  O210  1  0.8793  0.5740  0.5284  1
  O  O211  1  0.8805  0.2406  0.8629  1
  O  O212  1  0.8817  0.0928  0.3109  1
  O  O213  1  0.8834  0.4238  0.9781  1
  O  O214  1  0.8849  0.0836  0.5865  1
  O  O215  1  0.8855  0.9069  0.1978  1
  O  O216  1  0.8894  0.5892  0.2440  1
  O  O217  1  0.8907  0.2576  0.5759  1
  O  O218  1  0.8944  0.7514  0.6424  1
  O  O219  1  0.8945  0.7483  0.9249  1
  O  O220  1  0.8969  0.4140  0.2586  1
  O  O221  1  0.9106  0.9154  0.9104  1
  O  O222  1  0.9168  0.8925  0.3042  1
  O  O223  1  0.9219  0.5654  0.6356  1
  O  O224  1  0.9225  0.2289  0.9694  1
  O  O225  1  0.9225  0.7658  0.2447  1
  O  O226  1  0.9266  0.7588  0.5247  1
  O  O227  1  0.9282  0.1033  0.9115  1
  O  O228  1  0.9291  0.4382  0.5793  1
  O  O229  1  0.9317  0.1005  0.1959  1
  O  O230  1  0.9337  0.4341  0.8623  1
  O  O231  1  0.9339  0.5753  0.9254  1
  O  O232  1  0.9375  0.9056  0.5865  1
  O  O233  1  0.9443  0.2423  0.2577  1
]