data_[Na21Hf3Zn9P15S3O72]
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
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0659]
_cell_length_b [9.0924]
_cell_length_c [22.0827]
_cell_angle_alpha [89.5637]
_cell_angle_beta [89.2535]
_cell_angle_gamma [60.1045]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7HfZn3P5SO24]
_chemical_formula_sum '[Na21 Hf3 Zn9 P15 S3 O72]'
_cell_volume [1577.9411]
_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  0.0154  0.0059  0.4974  1
  Na  Na1  1  0.0203  0.6776  0.4096  1
  Na  Na2  1  0.2930  0.6797  0.9079  1
  Na  Na3  1  0.3021  0.3497  0.8240  1
  Na  Na4  1  0.3247  0.3288  0.3294  1
  Na  Na5  1  0.3364  0.9592  0.0798  1
  Na  Na6  1  0.3396  0.7049  0.5874  1
  Na  Na7  1  0.3543  0.0098  0.7460  1
  Na  Na8  1  0.3622  0.6317  0.2524  1
  Na  Na9  1  0.6343  0.3531  0.7445  1
  Na  Na10  1  0.6390  0.9920  0.2491  1
  Na  Na11  1  0.6713  0.6659  0.6632  1
  Na  Na12  1  0.6721  0.6675  0.1634  1
  Na  Na13  1  0.6787  0.3018  0.4147  1
  Na  Na14  1  0.6812  0.0251  0.9081  1
  Na  Na15  1  0.7014  0.9683  0.5882  1
  Na  Na16  1  0.7029  0.3367  0.0794  1
  Na  Na17  1  0.9567  0.7071  0.0821  1
  Na  Na18  1  0.9596  0.3254  0.5851  1
  Na  Na19  1  0.9973  0.3767  0.2507  1
  Na  Na20  1  1.0000  0.0150  0.9941  1
  Hf  Hf21  1  0.3281  0.3325  0.9808  1
  Hf  Hf22  1  0.3375  0.3225  0.4804  1
  Hf  Hf23  1  0.6758  0.6644  0.8152  1
  Zn  Zn24  1  0.0024  0.0033  0.8452  1
  Zn  Zn25  1  0.0028  0.0044  0.6610  1
  Zn  Zn26  1  0.0104  0.9898  0.3520  1
  Zn  Zn27  1  0.3219  0.3441  0.1747  1
  Zn  Zn28  1  0.3372  0.3303  0.6847  1
  Zn  Zn29  1  0.6545  0.6696  0.5086  1
  Zn  Zn30  1  0.6679  0.6626  0.0129  1
  Zn  Zn31  1  0.6724  0.6714  0.3280  1
  Zn  Zn32  1  0.9978  0.9911  0.1475  1
  P  P33  1  0.0019  0.2972  0.7478  1
  P  P34  1  0.0328  0.3324  0.0880  1
  P  P35  1  0.2987  0.6998  0.7511  1
  P  P36  1  0.3355  0.6304  0.0851  1
  P  P37  1  0.3358  0.0328  0.5872  1
  P  P38  1  0.3671  0.6672  0.4167  1
  P  P39  1  0.3696  0.9623  0.9195  1
  P  P40  1  0.6267  0.0398  0.0865  1
  P  P41  1  0.6296  0.3353  0.5842  1
  P  P42  1  0.6696  0.9632  0.4160  1
  P  P43  1  0.6698  0.3675  0.9196  1
  P  P44  1  0.7048  0.9986  0.7499  1
  P  P45  1  0.9625  0.6685  0.9207  1
  P  P46  1  0.9644  0.3670  0.4165  1
  P  P47  1  0.9986  0.7018  0.2500  1
  S  S48  1  0.0399  0.6257  0.5833  1
  S  S49  1  0.2953  0.9999  0.2484  1
  S  S50  1  0.7033  0.2969  0.2501  1
  O  O51  1  0.0221  0.7870  0.3069  1
  O  O52  1  0.0227  0.1673  0.0871  1
  O  O53  1  0.0290  0.7945  0.5838  1
  O  O54  1  0.0306  0.1786  0.8013  1
  O  O55  1  0.1080  0.3567  0.1469  1
  O  O56  1  0.1257  0.5202  0.6359  1
  O  O57  1  0.1395  0.5401  0.5261  1
  O  O58  1  0.1443  0.5061  0.9219  1
  O  O59  1  0.1449  0.3528  0.4230  1
  O  O60  1  0.1558  0.3144  0.0338  1
  O  O61  1  0.1586  0.3192  0.7427  1
  O  O62  1  0.1621  0.5206  0.2472  1
  O  O63  1  0.1702  0.8061  0.0843  1
  O  O64  1  0.1729  0.0180  0.5865  1
  O  O65  1  0.1836  0.8169  0.4125  1
  O  O66  1  0.1843  0.0230  0.3017  1
  O  O67  1  0.1936  0.9808  0.9124  1
  O  O68  1  0.1976  0.7841  0.8093  1
  O  O69  1  0.2181  0.9838  0.1916  1
  O  O70  1  0.2231  0.8101  0.6932  1
  O  O71  1  0.3164  0.1545  0.5324  1
  O  O72  1  0.3177  0.5300  0.0303  1
  O  O73  1  0.3190  0.1515  0.2474  1
  O  O74  1  0.3319  0.5170  0.7466  1
  O  O75  1  0.3506  0.5000  0.4205  1
  O  O76  1  0.3578  0.1128  0.6448  1
  O  O77  1  0.3604  0.5274  0.1439  1
  O  O78  1  0.3631  0.1391  0.9217  1
  O  O79  1  0.4468  0.6832  0.4756  1
  O  O80  1  0.4511  0.8599  0.9773  1
  O  O81  1  0.4656  0.8428  0.2529  1
  O  O82  1  0.4806  0.6352  0.3596  1
  O  O83  1  0.4827  0.6846  0.7561  1
  O  O84  1  0.4884  0.8702  0.8636  1
  O  O85  1  0.4945  0.6506  0.0789  1
  O  O86  1  0.4979  0.3599  0.9212  1
  O  O87  1  0.4980  0.8567  0.5795  1
  O  O88  1  0.5094  0.1478  0.4223  1
  O  O89  1  0.5206  0.1248  0.1443  1
  O  O90  1  0.5217  0.3583  0.6415  1
  O  O91  1  0.5230  0.1559  0.7484  1
  O  O92  1  0.5284  0.3243  0.5278  1
  O  O93  1  0.5297  0.1522  0.0297  1
  O  O94  1  0.5318  0.3108  0.2486  1
  O  O95  1  0.6414  0.8915  0.3571  1
  O  O96  1  0.6435  0.4860  0.8640  1
  O  O97  1  0.6469  0.8610  0.0820  1
  O  O98  1  0.6517  0.4940  0.5792  1
  O  O99  1  0.6799  0.8384  0.7553  1
  O  O100  1  0.6817  0.4708  0.2521  1
  O  O101  1  0.6859  0.4477  0.9781  1
  O  O102  1  0.6938  0.8534  0.4724  1
  O  O103  1  0.7882  0.1974  0.3055  1
  O  O104  1  0.7899  0.0187  0.8064  1
  O  O105  1  0.8026  0.0307  0.0847  1
  O  O106  1  0.8037  0.1689  0.5825  1
  O  O107  1  0.8056  0.2145  0.1945  1
  O  O108  1  0.8065  0.9761  0.6905  1
  O  O109  1  0.8173  0.1855  0.9121  1
  O  O110  1  0.8252  0.9907  0.4128  1
  O  O111  1  0.8356  0.6831  0.2542  1
  O  O112  1  0.8361  0.4757  0.7575  1
  O  O113  1  0.8550  0.4524  0.4736  1
  O  O114  1  0.8555  0.4909  0.0810  1
  O  O115  1  0.8626  0.6901  0.9796  1
  O  O116  1  0.8654  0.6495  0.8663  1
  O  O117  1  0.8664  0.6471  0.5797  1
  O  O118  1  0.8917  0.4772  0.3588  1
  O  O119  1  0.9611  0.2325  0.6887  1
  O  O120  1  0.9747  0.8090  0.1919  1
  O  O121  1  0.9820  0.1904  0.4109  1
  O  O122  1  0.9854  0.8243  0.9137  1
]