data_[Na24Ca9Hf3Si9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  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 [9.4751]
_cell_length_b [9.4765]
_cell_length_c [23.1407]
_cell_angle_alpha [89.9310]
_cell_angle_beta [89.8646]
_cell_angle_gamma [60.1452]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na8Ca3HfSi3(SO8)3]
_chemical_formula_sum '[Na24 Ca9 Hf3 Si9 S9 O72]'
_cell_volume [1802.0784]
_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  0.0012  0.6790  0.0765  1
  Na  Na1  1  0.0110  0.9749  0.4986  1
  Na  Na2  1  0.0266  0.3336  0.2467  1
  Na  Na3  1  0.0385  0.3070  0.5840  1
  Na  Na4  1  0.2873  0.6946  0.5699  1
  Na  Na5  1  0.2880  0.0477  0.0954  1
  Na  Na6  1  0.3176  0.3324  0.6551  1
  Na  Na7  1  0.3324  0.3058  0.1669  1
  Na  Na8  1  0.3378  0.6751  0.9157  1
  Na  Na9  1  0.3525  0.9409  0.4187  1
  Na  Na10  1  0.3575  0.6561  0.2696  1
  Na  Na11  1  0.3708  0.9956  0.7368  1
  Na  Na12  1  0.6139  0.0125  0.2631  1
  Na  Na13  1  0.6292  0.3677  0.7595  1
  Na  Na14  1  0.6362  0.6942  0.3465  1
  Na  Na15  1  0.6746  0.9960  0.5733  1
  Na  Na16  1  0.6762  0.3358  0.4172  1
  Na  Na17  1  0.6865  0.6478  0.8451  1
  Na  Na18  1  0.6972  0.2825  0.0761  1
  Na  Na19  1  0.7214  0.9534  0.9288  1
  Na  Na20  1  0.9392  0.3568  0.9248  1
  Na  Na21  1  0.9539  0.7224  0.4311  1
  Na  Na22  1  0.9730  0.0140  0.9999  1
  Na  Na23  1  0.9993  0.6261  0.7472  1
  Ca  Ca24  1  0.0014  0.0046  0.1512  1
  Ca  Ca25  1  0.0026  0.9949  0.6481  1
  Ca  Ca26  1  0.0142  0.9879  0.3529  1
  Ca  Ca27  1  0.3314  0.3389  0.8211  1
  Ca  Ca28  1  0.3382  0.3281  0.3203  1
  Ca  Ca29  1  0.6595  0.6780  0.4867  1
  Ca  Ca30  1  0.6698  0.6770  0.6714  1
  Ca  Ca31  1  0.6743  0.6643  0.9849  1
  Ca  Ca32  1  0.9934  0.9991  0.8563  1
  Hf  Hf33  1  0.3322  0.3354  0.0168  1
  Hf  Hf34  1  0.3379  0.3319  0.5137  1
  Hf  Hf35  1  0.6684  0.6785  0.1784  1
  Si  Si36  1  0.0357  0.6315  0.9158  1
  Si  Si37  1  0.3130  0.9925  0.2461  1
  Si  Si38  1  0.3361  0.6297  0.4146  1
  Si  Si39  1  0.3558  0.9834  0.5843  1
  Si  Si40  1  0.6291  0.3362  0.9157  1
  Si  Si41  1  0.6374  0.0332  0.4149  1
  Si  Si42  1  0.6602  0.9753  0.0796  1
  Si  Si43  1  0.9698  0.3686  0.0819  1
  Si  Si44  1  0.9834  0.6564  0.5834  1
  S  S45  1  0.0384  0.3336  0.4175  1
  S  S46  1  0.3054  0.6978  0.7505  1
  S  S47  1  0.3313  0.0423  0.9179  1
  S  S48  1  0.3755  0.6576  0.0833  1
  S  S49  1  0.6589  0.3645  0.5834  1
  S  S50  1  0.6970  0.9985  0.7506  1
  S  S51  1  0.6971  0.3124  0.2471  1
  S  S52  1  0.9908  0.6979  0.2462  1
  S  S53  1  0.9976  0.3007  0.7509  1
  O  O54  1  0.0012  0.1836  0.0883  1
  O  O55  1  0.0067  0.2071  0.6986  1
  O  O56  1  0.0132  0.7734  0.1942  1
  O  O57  1  0.0325  0.1798  0.4168  1
  O  O58  1  0.0397  0.8036  0.9210  1
  O  O59  1  0.1071  0.3564  0.3635  1
  O  O60  1  0.1115  0.5316  0.8563  1
  O  O61  1  0.1316  0.5301  0.2519  1
  O  O62  1  0.1460  0.3201  0.4681  1
  O  O63  1  0.1482  0.3160  0.7511  1
  O  O64  1  0.1504  0.3641  0.0791  1
  O  O65  1  0.1560  0.5180  0.9722  1
  O  O66  1  0.1662  0.0240  0.5882  1
  O  O67  1  0.1701  0.4939  0.5739  1
  O  O68  1  0.1711  0.8090  0.4216  1
  O  O69  1  0.1769  0.0373  0.9173  1
  O  O70  1  0.2072  0.7929  0.0925  1
  O  O71  1  0.2073  0.7837  0.6992  1
  O  O72  1  0.2085  0.0130  0.1882  1
  O  O73  1  0.2276  0.7931  0.8036  1
  O  O74  1  0.2358  0.9567  0.3038  1
  O  O75  1  0.3180  0.1487  0.9692  1
  O  O76  1  0.3194  0.5328  0.7513  1
  O  O77  1  0.3268  0.5174  0.4695  1
  O  O78  1  0.3316  0.1572  0.2483  1
  O  O79  1  0.3435  0.5408  0.3538  1
  O  O80  1  0.3485  0.1632  0.5737  1
  O  O81  1  0.3543  0.1117  0.8643  1
  O  O82  1  0.3715  0.5004  0.0802  1
  O  O83  1  0.4399  0.8565  0.5314  1
  O  O84  1  0.4408  0.6876  0.0304  1
  O  O85  1  0.4628  0.9151  0.6443  1
  O  O86  1  0.4713  0.8769  0.9247  1
  O  O87  1  0.4737  0.6760  0.7465  1
  O  O88  1  0.4844  0.6388  0.1339  1
  O  O89  1  0.4881  0.1562  0.0790  1
  O  O90  1  0.5014  0.8211  0.2395  1
  O  O91  1  0.5055  0.6363  0.4190  1
  O  O92  1  0.5066  0.3515  0.5763  1
  O  O93  1  0.5183  0.3222  0.9717  1
  O  O94  1  0.5235  0.1520  0.4706  1
  O  O95  1  0.5282  0.1428  0.7532  1
  O  O96  1  0.5293  0.3376  0.2513  1
  O  O97  1  0.5383  0.1101  0.3553  1
  O  O98  1  0.5394  0.3463  0.8548  1
  O  O99  1  0.6323  0.4632  0.6365  1
  O  O100  1  0.6349  0.5061  0.9194  1
  O  O101  1  0.6394  0.8684  0.1353  1
  O  O102  1  0.6642  0.8488  0.4190  1
  O  O103  1  0.6835  0.8733  0.0219  1
  O  O104  1  0.6841  0.4780  0.2395  1
  O  O105  1  0.6850  0.8460  0.7482  1
  O  O106  1  0.6866  0.4400  0.5326  1
  O  O107  1  0.7752  0.2095  0.1960  1
  O  O108  1  0.7763  0.0176  0.6985  1
  O  O109  1  0.7930  0.9862  0.8027  1
  O  O110  1  0.7959  0.2387  0.2997  1
  O  O111  1  0.7986  0.1974  0.5900  1
  O  O112  1  0.8099  0.0357  0.4189  1
  O  O113  1  0.8102  0.1725  0.9215  1
  O  O114  1  0.8206  0.9943  0.0885  1
  O  O115  1  0.8376  0.6830  0.2402  1
  O  O116  1  0.8475  0.4665  0.7498  1
  O  O117  1  0.8499  0.6626  0.9188  1
  O  O118  1  0.8604  0.4437  0.0252  1
  O  O119  1  0.8668  0.6807  0.5288  1
  O  O120  1  0.8679  0.4929  0.1387  1
  O  O121  1  0.8737  0.4743  0.4253  1
  O  O122  1  0.9177  0.6150  0.6438  1
  O  O123  1  0.9630  0.7991  0.2981  1
  O  O124  1  0.9885  0.2164  0.8036  1
  O  O125  1  0.9999  0.8212  0.5860  1
]