data_[Na9Hf6Si3Ge6P15O72]
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
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6610]
_cell_length_b [8.6760]
_cell_length_c [22.3304]
_cell_angle_alpha [89.9681]
_cell_angle_beta [89.8254]
_cell_angle_gamma [60.1450]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Hf2SiGe2P5O24]
_chemical_formula_sum '[Na9 Hf6 Si3 Ge6 P15 O72]'
_cell_volume [1455.2724]
_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  0.0252  0.6693  0.9169  1
  Na  Na1  1  0.3069  0.6640  0.4164  1
  Na  Na2  1  0.3273  0.3285  0.3336  1
  Na  Na3  1  0.3423  0.3234  0.8324  1
  Na  Na4  1  0.6356  0.3634  0.2493  1
  Na  Na5  1  0.6636  0.6747  0.1663  1
  Na  Na6  1  0.6666  0.6666  0.6671  1
  Na  Na7  1  0.9897  0.0109  0.5024  1
  Na  Na8  1  0.9974  0.0085  0.9981  1
  Hf  Hf9  1  0.0056  0.9951  0.1430  1
  Hf  Hf10  1  0.6620  0.6689  0.3156  1
  Hf  Hf11  1  0.6633  0.6730  0.8117  1
  Hf  Hf12  1  0.6670  0.6704  0.0199  1
  Hf  Hf13  1  0.6699  0.6621  0.5246  1
  Hf  Hf14  1  0.9972  0.0023  0.3515  1
  Si  Si15  1  0.2923  0.6989  0.2482  1
  Si  Si16  1  0.6630  0.3667  0.4201  1
  Si  Si17  1  0.6635  0.9731  0.9159  1
  Ge  Ge18  1  0.3292  0.3368  0.1852  1
  Ge  Ge19  1  0.3337  0.3329  0.6870  1
  Ge  Ge20  1  0.3373  0.3290  0.4836  1
  Ge  Ge21  1  0.3400  0.3266  0.9806  1
  Ge  Ge22  1  0.9948  0.0059  0.8502  1
  Ge  Ge23  1  0.9996  0.0005  0.6467  1
  P  P24  1  0.0094  0.7125  0.7473  1
  P  P25  1  0.0105  0.2915  0.2471  1
  P  P26  1  0.0560  0.6086  0.0820  1
  P  P27  1  0.0583  0.3239  0.5865  1
  P  P28  1  0.2760  0.0085  0.7474  1
  P  P29  1  0.3230  0.6211  0.5866  1
  P  P30  1  0.3339  0.0582  0.0833  1
  P  P31  1  0.3689  0.6676  0.9162  1
  P  P32  1  0.3746  0.9691  0.4203  1
  P  P33  1  0.6119  0.3341  0.0831  1
  P  P34  1  0.6198  0.0562  0.5868  1
  P  P35  1  0.7000  0.0044  0.2465  1
  P  P36  1  0.7132  0.2790  0.7470  1
  P  P37  1  0.9648  0.3653  0.9162  1
  P  P38  1  0.9653  0.6584  0.4197  1
  O  O39  1  0.0343  0.7956  0.0856  1
  O  O40  1  0.0352  0.1568  0.5921  1
  O  O41  1  0.0386  0.1792  0.3039  1
  O  O42  1  0.0399  0.7912  0.8061  1
  O  O43  1  0.1379  0.4972  0.1388  1
  O  O44  1  0.1398  0.3607  0.6419  1
  O  O45  1  0.1464  0.3585  0.9252  1
  O  O46  1  0.1509  0.4915  0.4275  1
  O  O47  1  0.1550  0.8103  0.5926  1
  O  O48  1  0.1635  0.0389  0.8053  1
  O  O49  1  0.1656  0.5291  0.0239  1
  O  O50  1  0.1667  0.0392  0.0867  1
  O  O51  1  0.1698  0.2939  0.5284  1
  O  O52  1  0.1773  0.5236  0.7410  1
  O  O53  1  0.1781  0.3052  0.2397  1
  O  O54  1  0.1806  0.7781  0.3101  1
  O  O55  1  0.1825  0.8345  0.9073  1
  O  O56  1  0.1936  0.9781  0.4122  1
  O  O57  1  0.1945  0.9719  0.6916  1
  O  O58  1  0.2028  0.8271  0.1916  1
  O  O59  1  0.2929  0.5428  0.5276  1
  O  O60  1  0.2987  0.1756  0.7415  1
  O  O61  1  0.3021  0.1702  0.0265  1
  O  O62  1  0.3178  0.4999  0.2401  1
  O  O63  1  0.3409  0.5051  0.9251  1
  O  O64  1  0.3538  0.1537  0.4277  1
  O  O65  1  0.3606  0.4997  0.6411  1
  O  O66  1  0.3645  0.1389  0.1405  1
  O  O67  1  0.4523  0.7007  0.9721  1
  O  O68  1  0.4594  0.8449  0.4739  1
  O  O69  1  0.4622  0.8410  0.7536  1
  O  O70  1  0.4773  0.3613  0.4284  1
  O  O71  1  0.4862  0.1651  0.9255  1
  O  O72  1  0.4879  0.8882  0.3629  1
  O  O73  1  0.4885  0.6290  0.8609  1
  O  O74  1  0.4885  0.6434  0.5811  1
  O  O75  1  0.4926  0.6726  0.2530  1
  O  O76  1  0.4997  0.8701  0.0787  1
  O  O77  1  0.5000  0.1388  0.6421  1
  O  O78  1  0.5037  0.3619  0.1417  1
  O  O79  1  0.5160  0.1731  0.2403  1
  O  O80  1  0.5241  0.2992  0.7410  1
  O  O81  1  0.5271  0.3051  0.0270  1
  O  O82  1  0.5395  0.1677  0.5289  1
  O  O83  1  0.6192  0.4905  0.3593  1
  O  O84  1  0.6298  0.8782  0.8585  1
  O  O85  1  0.6306  0.5018  0.0787  1
  O  O86  1  0.6397  0.8704  0.5806  1
  O  O87  1  0.6853  0.8369  0.2542  1
  O  O88  1  0.6930  0.4669  0.4758  1
  O  O89  1  0.6936  0.4648  0.7540  1
  O  O90  1  0.7143  0.8372  0.9730  1
  O  O91  1  0.7794  0.0448  0.3026  1
  O  O92  1  0.7937  0.1662  0.8046  1
  O  O93  1  0.7971  0.1685  0.0867  1
  O  O94  1  0.8095  0.0350  0.5926  1
  O  O95  1  0.8174  0.9757  0.1921  1
  O  O96  1  0.8330  0.1958  0.6915  1
  O  O97  1  0.8368  0.1746  0.4137  1
  O  O98  1  0.8424  0.4761  0.2555  1
  O  O99  1  0.8433  0.6906  0.7536  1
  O  O100  1  0.8451  0.6967  0.4742  1
  O  O101  1  0.8463  0.4480  0.9722  1
  O  O102  1  0.8497  0.9784  0.9056  1
  O  O103  1  0.8689  0.6278  0.0787  1
  O  O104  1  0.8722  0.4910  0.5809  1
  O  O105  1  0.8819  0.4893  0.8616  1
  O  O106  1  0.8839  0.6292  0.3625  1
  O  O107  1  0.9648  0.2116  0.1934  1
  O  O108  1  0.9719  0.8335  0.6924  1
  O  O109  1  0.9853  0.1804  0.9069  1
  O  O110  1  0.9918  0.8207  0.4129  1
]