data_[Na6Hf6Mg6Si3S15O72]
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
  Mg  1.3100  1.5000  0.8600
  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 [8.7780]
_cell_length_b [8.7797]
_cell_length_c [23.1021]
_cell_angle_alpha [90.0463]
_cell_angle_beta [90.0274]
_cell_angle_gamma [119.9289]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Hf2Mg2SiS5O24]
_chemical_formula_sum '[Na6 Hf6 Mg6 Si3 S15 O72]'
_cell_volume [1543.0035]
_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  0.0103  0.0025  0.0048  1
  Na  Na1  1  0.3226  0.6559  0.3402  1
  Na  Na2  1  0.3255  0.6848  0.8380  1
  Na  Na3  1  0.6796  0.3512  0.6589  1
  Na  Na4  1  0.6836  0.3304  0.1802  1
  Na  Na5  1  0.9976  0.9952  0.5034  1
  Hf  Hf6  1  0.0033  0.0128  0.3523  1
  Hf  Hf7  1  0.0123  0.9917  0.8528  1
  Hf  Hf8  1  0.3246  0.6581  0.1902  1
  Hf  Hf9  1  0.3260  0.6695  0.6832  1
  Hf  Hf10  1  0.6562  0.3241  0.0209  1
  Hf  Hf11  1  0.6659  0.3289  0.8128  1
  Mg  Mg12  1  0.3326  0.6654  0.4817  1
  Mg  Mg13  1  0.3328  0.6764  0.9814  1
  Mg  Mg14  1  0.6689  0.3371  0.5157  1
  Mg  Mg15  1  0.6780  0.3347  0.3170  1
  Mg  Mg16  1  0.9936  0.9853  0.6453  1
  Mg  Mg17  1  0.9966  0.0039  0.1520  1
  Si  Si18  1  0.3724  0.0307  0.9166  1
  Si  Si19  1  0.9849  0.2866  0.2467  1
  Si  Si20  1  0.9985  0.7061  0.7462  1
  S  S21  1  0.0380  0.3694  0.5814  1
  S  S22  1  0.0433  0.6722  0.0827  1
  S  S23  1  0.2887  0.2907  0.7480  1
  S  S24  1  0.2920  0.0052  0.2486  1
  S  S25  1  0.3295  0.3761  0.0815  1
  S  S26  1  0.3358  0.9646  0.5803  1
  S  S27  1  0.3813  0.3370  0.4168  1
  S  S28  1  0.6248  0.6663  0.5813  1
  S  S29  1  0.6288  0.9534  0.0821  1
  S  S30  1  0.6606  0.0391  0.4176  1
  S  S31  1  0.6623  0.6227  0.9176  1
  S  S32  1  0.7122  0.7079  0.2487  1
  S  S33  1  0.7127  0.9985  0.7484  1
  S  S34  1  0.9591  0.3343  0.9177  1
  S  S35  1  0.9601  0.6243  0.4175  1
  O  O36  1  0.0220  0.8260  0.0903  1
  O  O37  1  0.0229  0.1963  0.5906  1
  O  O38  1  0.0242  0.1987  0.3052  1
  O  O39  1  0.0303  0.8225  0.8067  1
  O  O40  1  0.1273  0.4822  0.6354  1
  O  O41  1  0.1278  0.6452  0.1352  1
  O  O42  1  0.1346  0.4851  0.9243  1
  O  O43  1  0.1386  0.6465  0.4236  1
  O  O44  1  0.1471  0.6908  0.0309  1
  O  O45  1  0.1473  0.4554  0.5309  1
  O  O46  1  0.1732  0.4852  0.2438  1
  O  O47  1  0.1757  0.6850  0.7428  1
  O  O48  1  0.1781  0.9676  0.3011  1
  O  O49  1  0.1793  0.9836  0.5876  1
  O  O50  1  0.1817  0.1980  0.0872  1
  O  O51  1  0.1818  0.2128  0.8018  1
  O  O52  1  0.1821  0.0281  0.9137  1
  O  O53  1  0.1991  0.1710  0.4114  1
  O  O54  1  0.2076  0.1862  0.6967  1
  O  O55  1  0.2080  0.0198  0.1963  1
  O  O56  1  0.3118  0.8526  0.5304  1
  O  O57  1  0.3121  0.4623  0.0298  1
  O  O58  1  0.3146  0.8452  0.2429  1
  O  O59  1  0.3154  0.4712  0.7432  1
  O  O60  1  0.3512  0.8407  0.9206  1
  O  O61  1  0.3523  0.4888  0.4227  1
  O  O62  1  0.3551  0.4855  0.1341  1
  O  O63  1  0.3561  0.8748  0.6348  1
  O  O64  1  0.4587  0.3094  0.4693  1
  O  O65  1  0.4635  0.1606  0.2577  1
  O  O66  1  0.4660  0.3094  0.7567  1
  O  O67  1  0.4705  0.1598  0.9732  1
  O  O68  1  0.4814  0.3552  0.3643  1
  O  O69  1  0.4909  0.1374  0.8605  1
  O  O70  1  0.4977  0.1370  0.5775  1
  O  O71  1  0.4989  0.3680  0.0779  1
  O  O72  1  0.5024  0.6313  0.9244  1
  O  O73  1  0.5070  0.8602  0.4239  1
  O  O74  1  0.5179  0.6464  0.6356  1
  O  O75  1  0.5200  0.8762  0.1346  1
  O  O76  1  0.5344  0.6840  0.5308  1
  O  O77  1  0.5356  0.8387  0.7429  1
  O  O78  1  0.5370  0.7020  0.2421  1
  O  O79  1  0.5410  0.8515  0.0302  1
  O  O80  1  0.6391  0.1199  0.3653  1
  O  O81  1  0.6418  0.5070  0.5782  1
  O  O82  1  0.6476  0.5188  0.8650  1
  O  O83  1  0.6489  0.1366  0.0766  1
  O  O84  1  0.6781  0.5294  0.2578  1
  O  O85  1  0.6850  0.1528  0.7558  1
  O  O86  1  0.6932  0.1466  0.4699  1
  O  O87  1  0.6981  0.5442  0.9694  1
  O  O88  1  0.7933  0.9786  0.8024  1
  O  O89  1  0.7951  0.8188  0.3011  1
  O  O90  1  0.7983  0.8275  0.5867  1
  O  O91  1  0.8038  0.9733  0.0869  1
  O  O92  1  0.8170  0.7839  0.1967  1
  O  O93  1  0.8183  0.8025  0.9113  1
  O  O94  1  0.8193  0.0294  0.6971  1
  O  O95  1  0.8231  0.0172  0.4107  1
  O  O96  1  0.8241  0.3197  0.2562  1
  O  O97  1  0.8301  0.5093  0.7580  1
  O  O98  1  0.8493  0.3139  0.9695  1
  O  O99  1  0.8541  0.5471  0.4700  1
  O  O100  1  0.8640  0.3564  0.5782  1
  O  O101  1  0.8655  0.5091  0.0775  1
  O  O102  1  0.8763  0.3613  0.8652  1
  O  O103  1  0.8777  0.5211  0.3653  1
  O  O104  1  0.9634  0.1689  0.9109  1
  O  O105  1  0.9691  0.7949  0.6916  1
  O  O106  1  0.9715  0.1800  0.1898  1
  O  O107  1  0.9798  0.8054  0.4105  1
]