data_[Na6Hf12Al12Si9S27O144]
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
  Al  1.6100  1.2500  0.6750
  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 [8.6667]
_cell_length_b [15.0047]
_cell_length_c [22.5164]
_cell_angle_alpha [90.7112]
_cell_angle_beta [90.1710]
_cell_angle_gamma [90.0056]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Hf4Al4Si3(S3O16)3]
_chemical_formula_sum '[Na6 Hf12 Al12 Si9 S27 O144]'
_cell_volume [2927.8238]
_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  0.0044  0.3296  0.8421  1
  Na  Na1  1  0.0051  0.3291  0.3328  1
  Na  Na2  1  0.4962  0.8260  0.8344  1
  Na  Na3  1  0.5009  0.8204  0.3377  1
  Na  Na4  1  0.5091  0.4959  0.0043  1
  Na  Na5  1  0.9887  0.9953  0.5001  1
  Hf  Hf6  1  0.0024  0.3339  0.1894  1
  Hf  Hf7  1  0.0029  0.3386  0.6882  1
  Hf  Hf8  1  0.0051  0.0034  0.8599  1
  Hf  Hf9  1  0.0086  0.6647  0.5217  1
  Hf  Hf10  1  0.0159  0.0051  0.1446  1
  Hf  Hf11  1  0.4849  0.5057  0.6439  1
  Hf  Hf12  1  0.4881  0.1642  0.0240  1
  Hf  Hf13  1  0.4970  0.8325  0.6880  1
  Hf  Hf14  1  0.4974  0.5104  0.3575  1
  Hf  Hf15  1  0.5000  0.8353  0.1915  1
  Hf  Hf16  1  0.5010  0.1602  0.5227  1
  Hf  Hf17  1  0.9974  0.6598  0.0243  1
  Al  Al18  1  0.0003  0.3322  0.9826  1
  Al  Al19  1  0.0020  0.0031  0.3498  1
  Al  Al20  1  0.0060  0.3350  0.4784  1
  Al  Al21  1  0.0082  0.6651  0.8113  1
  Al  Al22  1  0.0088  0.6692  0.3110  1
  Al  Al23  1  0.4857  0.1715  0.8175  1
  Al  Al24  1  0.4934  0.1679  0.3101  1
  Al  Al25  1  0.4936  0.8312  0.9837  1
  Al  Al26  1  0.4979  0.5039  0.8509  1
  Al  Al27  1  0.5090  0.8337  0.4771  1
  Al  Al28  1  0.5317  0.5003  0.1497  1
  Al  Al29  1  0.9874  0.9960  0.6455  1
  Si  Si30  1  0.1407  0.4739  0.5782  1
  Si  Si31  1  0.1511  0.1446  0.2576  1
  Si  Si32  1  0.2087  0.1804  0.9157  1
  Si  Si33  1  0.2876  0.6790  0.4144  1
  Si  Si34  1  0.3486  0.6448  0.7573  1
  Si  Si35  1  0.3589  0.9719  0.0797  1
  Si  Si36  1  0.6538  0.9694  0.5814  1
  Si  Si37  1  0.6640  0.6430  0.2505  1
  Si  Si38  1  0.8440  0.4679  0.0804  1
  S  S39  1  0.1347  0.8546  0.2541  1
  S  S40  1  0.1347  0.1858  0.5821  1
  S  S41  1  0.1489  0.5215  0.9131  1
  S  S42  1  0.1522  0.8055  0.9158  1
  S  S43  1  0.2085  0.8411  0.5829  1
  S  S44  1  0.2167  0.5052  0.2484  1
  S  S45  1  0.2857  0.0072  0.7488  1
  S  S46  1  0.2893  0.3415  0.0830  1
  S  S47  1  0.3483  0.3066  0.4157  1
  S  S48  1  0.3519  0.0206  0.4130  1
  S  S49  1  0.3651  0.6866  0.0810  1
  S  S50  1  0.3667  0.3517  0.7544  1
  S  S51  1  0.6331  0.0189  0.9141  1
  S  S52  1  0.6357  0.3519  0.2512  1
  S  S53  1  0.6399  0.6918  0.5793  1
  S  S54  1  0.6433  0.3159  0.9119  1
  S  S55  1  0.7074  0.6672  0.9136  1
  S  S56  1  0.7136  0.0055  0.2559  1
  S  S57  1  0.7196  0.3344  0.5798  1
  S  S58  1  0.7799  0.8347  0.0799  1
  S  S59  1  0.7869  0.5033  0.7562  1
  S  S60  1  0.7932  0.1678  0.4143  1
  S  S61  1  0.8439  0.1412  0.7503  1
  S  S62  1  0.8555  0.8179  0.4135  1
  S  S63  1  0.8609  0.1915  0.0795  1
  S  S64  1  0.8647  0.5153  0.4156  1
  S  S65  1  0.8647  0.8530  0.7505  1
  O  O66  1  0.0615  0.2248  0.5293  1
  O  O67  1  0.0637  0.5713  0.5757  1
  O  O68  1  0.0640  0.0955  0.3113  1
  O  O69  1  0.0685  0.7663  0.2598  1
  O  O70  1  0.0693  0.8943  0.1994  1
  O  O71  1  0.0701  0.2429  0.2492  1
  O  O72  1  0.0714  0.0961  0.5921  1
  O  O73  1  0.0720  0.4308  0.6401  1
  O  O74  1  0.0739  0.5660  0.8623  1
  O  O75  1  0.0754  0.4343  0.9208  1
  O  O76  1  0.0835  0.7689  0.9695  1
  O  O77  1  0.0866  0.8965  0.9078  1
  O  O78  1  0.0961  0.2648  0.9274  1
  O  O79  1  0.0996  0.0918  0.9068  1
  O  O80  1  0.1004  0.7658  0.5765  1
  O  O81  1  0.1049  0.4092  0.5233  1
  O  O82  1  0.1074  0.9121  0.3067  1
  O  O83  1  0.1114  0.2415  0.6367  1
  O  O84  1  0.1123  0.4250  0.2443  1
  O  O85  1  0.1154  0.7505  0.8631  1
  O  O86  1  0.1180  0.9238  0.5942  1
  O  O87  1  0.1183  0.0876  0.1954  1
  O  O88  1  0.1216  0.5846  0.2574  1
  O  O89  1  0.1284  0.5782  0.9677  1
  O  O90  1  0.1661  0.6542  0.7655  1
  O  O91  1  0.1732  0.9805  0.0875  1
  O  O92  1  0.1742  0.6876  0.3575  1
  O  O93  1  0.1759  0.3122  0.4215  1
  O  O94  1  0.1818  0.0097  0.4069  1
  O  O95  1  0.1855  0.6615  0.4739  1
  O  O96  1  0.1863  0.0173  0.6958  1
  O  O97  1  0.1888  0.9899  0.8020  1
  O  O98  1  0.1917  0.3515  0.0295  1
  O  O99  1  0.1937  0.3404  0.7482  1
  O  O100  1  0.1946  0.6826  0.0721  1
  O  O101  1  0.1960  0.3199  0.1360  1
  O  O102  1  0.3011  0.8206  0.6371  1
  O  O103  1  0.3046  0.8537  0.5305  1
  O  O104  1  0.3048  0.1805  0.5747  1
  O  O105  1  0.3069  0.8473  0.2483  1
  O  O106  1  0.3097  0.4845  0.3021  1
  O  O107  1  0.3126  0.1582  0.9732  1
  O  O108  1  0.3130  0.5121  0.1950  1
  O  O109  1  0.3155  0.1907  0.8573  1
  O  O110  1  0.3192  0.5107  0.9065  1
  O  O111  1  0.3234  0.8126  0.9212  1
  O  O112  1  0.3260  0.4800  0.5879  1
  O  O113  1  0.3337  0.1537  0.2656  1
  O  O114  1  0.3722  0.0772  0.4683  1
  O  O115  1  0.3787  0.4233  0.0925  1
  O  O116  1  0.3822  0.5875  0.6953  1
  O  O117  1  0.3831  0.2494  0.3636  1
  O  O118  1  0.3840  0.9260  0.7443  1
  O  O119  1  0.3846  0.0858  0.7584  1
  O  O120  1  0.3879  0.7417  0.1348  1
  O  O121  1  0.3907  0.4101  0.8066  1
  O  O122  1  0.3909  0.5884  0.4101  1
  O  O123  1  0.3929  0.9115  0.0216  1
  O  O124  1  0.3960  0.2648  0.0757  1
  O  O125  1  0.4009  0.7648  0.4260  1
  O  O126  1  0.4140  0.3958  0.4086  1
  O  O127  1  0.4145  0.2678  0.4703  1
  O  O128  1  0.4260  0.9335  0.4218  1
  O  O129  1  0.4263  0.0652  0.3629  1
  O  O130  1  0.4268  0.5968  0.0877  1
  O  O131  1  0.4293  0.3913  0.6995  1
  O  O132  1  0.4293  0.7438  0.7495  1
  O  O133  1  0.4296  0.9291  0.1395  1
  O  O134  1  0.4361  0.0703  0.0756  1
  O  O135  1  0.4361  0.5951  0.8108  1
  O  O136  1  0.4370  0.7270  0.0273  1
  O  O137  1  0.4384  0.2636  0.7609  1
  O  O138  1  0.5652  0.7317  0.5279  1
  O  O139  1  0.5655  0.9288  0.9204  1
  O  O140  1  0.5658  0.3918  0.1972  1
  O  O141  1  0.5658  0.0634  0.8614  1
  O  O142  1  0.5709  0.4061  0.9029  1
  O  O143  1  0.5719  0.2625  0.2606  1
  O  O144  1  0.5747  0.6014  0.3082  1
  O  O145  1  0.5751  0.9311  0.6414  1
  O  O146  1  0.5754  0.2786  0.9659  1
  O  O147  1  0.5783  0.6006  0.5876  1
  O  O148  1  0.5785  0.0689  0.5712  1
  O  O149  1  0.5834  0.7427  0.2440  1
  O  O150  1  0.6069  0.7475  0.9225  1
  O  O151  1  0.6098  0.9257  0.2504  1
  O  O152  1  0.6123  0.7428  0.6354  1
  O  O153  1  0.6124  0.5847  0.9084  1
  O  O154  1  0.6128  0.9088  0.5238  1
  O  O155  1  0.6137  0.4079  0.3043  1
  O  O156  1  0.6151  0.2568  0.5729  1
  O  O157  1  0.6156  0.2556  0.8592  1
  O  O158  1  0.6168  0.0747  0.9679  1
  O  O159  1  0.6201  0.0855  0.2667  1
  O  O160  1  0.6209  0.5825  0.1923  1
  O  O161  1  0.6295  0.4152  0.5897  1
  O  O162  1  0.6586  0.4786  0.0888  1
  O  O163  1  0.6775  0.1497  0.7603  1
  O  O164  1  0.6834  0.8430  0.0257  1
  O  O165  1  0.6846  0.8275  0.4201  1
  O  O166  1  0.6863  0.4840  0.8071  1
  O  O167  1  0.6899  0.8156  0.1336  1
  O  O168  1  0.6934  0.1872  0.0716  1
  O  O169  1  0.6936  0.1828  0.3623  1
  O  O170  1  0.6941  0.8450  0.7439  1
  O  O171  1  0.6962  0.5015  0.4098  1
  O  O172  1  0.6962  0.1551  0.4685  1
  O  O173  1  0.7009  0.5134  0.7003  1
  O  O174  1  0.8003  0.0158  0.2003  1
  O  O175  1  0.8026  0.0072  0.9060  1
  O  O176  1  0.8044  0.6546  0.9675  1
  O  O177  1  0.8066  0.3432  0.2442  1
  O  O178  1  0.8068  0.6870  0.5731  1
  O  O179  1  0.8069  0.6821  0.8613  1
  O  O180  1  0.8115  0.3157  0.6348  1
  O  O181  1  0.8127  0.3252  0.9174  1
  O  O182  1  0.8144  0.9853  0.3073  1
  O  O183  1  0.8168  0.3428  0.5270  1
  O  O184  1  0.8393  0.9830  0.5919  1
  O  O185  1  0.8436  0.6523  0.2664  1
  O  O186  1  0.8703  0.9157  0.0882  1
  O  O187  1  0.8785  0.0859  0.6965  1
  O  O188  1  0.8826  0.7597  0.3615  1
  O  O189  1  0.8828  0.5825  0.7666  1
  O  O190  1  0.8831  0.5717  0.4700  1
  O  O191  1  0.8851  0.7573  0.0715  1
  O  O192  1  0.8862  0.4095  0.0216  1
  O  O193  1  0.8867  0.9108  0.8034  1
  O  O194  1  0.8875  0.2428  0.1349  1
  O  O195  1  0.8890  0.0858  0.4094  1
  O  O196  1  0.8901  0.4216  0.7507  1
  O  O197  1  0.8932  0.2481  0.4236  1
  O  O198  1  0.9153  0.2314  0.7440  1
  O  O199  1  0.9194  0.5677  0.0704  1
  O  O200  1  0.9202  0.1018  0.8032  1
  O  O201  1  0.9216  0.7810  0.4687  1
  O  O202  1  0.9217  0.1005  0.0871  1
  O  O203  1  0.9233  0.4293  0.1398  1
  O  O204  1  0.9263  0.9092  0.4058  1
  O  O205  1  0.9302  0.7645  0.7603  1
  O  O206  1  0.9340  0.4244  0.4234  1
  O  O207  1  0.9346  0.8953  0.6974  1
  O  O208  1  0.9347  0.5567  0.3640  1
  O  O209  1  0.9357  0.2310  0.0277  1
]