data_[Na9Hf12Si3P15O72]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8783]
_cell_length_b [8.9108]
_cell_length_c [23.1161]
_cell_angle_alpha [89.9615]
_cell_angle_beta [89.9952]
_cell_angle_gamma [60.1360]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Hf4SiP5O24]
_chemical_formula_sum '[Na9 Hf12 Si3 P15 O72]'
_cell_volume [1585.9399]
_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  0.0008  0.6331  0.7494  1
  Na  Na1  1  0.0009  0.9863  0.4998  1
  Na  Na2  1  0.0055  0.9903  0.9992  1
  Na  Na3  1  0.3333  0.3333  0.3333  1
  Na  Na4  1  0.3393  0.3236  0.8340  1
  Na  Na5  1  0.6553  0.6717  0.6666  1
  Na  Na6  1  0.6654  0.6797  0.1673  1
  Na  Na7  1  0.6955  0.3304  0.0824  1
  Na  Na8  1  0.9704  0.3358  0.5853  1
  Hf  Hf9  1  0.0003  0.0063  0.8536  1
  Hf  Hf10  1  0.0029  0.9935  0.1476  1
  Hf  Hf11  1  0.3314  0.3393  0.4793  1
  Hf  Hf12  1  0.3329  0.3301  0.6858  1
  Hf  Hf13  1  0.3350  0.3280  0.1871  1
  Hf  Hf14  1  0.3355  0.3307  0.9803  1
  Hf  Hf15  1  0.6649  0.6625  0.8144  1
  Hf  Hf16  1  0.6653  0.6721  0.5188  1
  Hf  Hf17  1  0.6666  0.6757  0.0194  1
  Hf  Hf18  1  0.6670  0.6662  0.3134  1
  Hf  Hf19  1  0.9988  0.9975  0.6473  1
  Hf  Hf20  1  0.9997  0.0004  0.3532  1
  Si  Si21  1  0.0000  0.2922  0.7489  1
  Si  Si22  1  0.0417  0.6280  0.5833  1
  Si  Si23  1  0.6244  0.0409  0.0839  1
  P  P24  1  0.0006  0.7089  0.2508  1
  P  P25  1  0.0432  0.3331  0.0835  1
  P  P26  1  0.2900  0.7113  0.7503  1
  P  P27  1  0.2905  0.9997  0.2507  1
  P  P28  1  0.3324  0.6221  0.0830  1
  P  P29  1  0.3350  0.0425  0.5826  1
  P  P30  1  0.3758  0.9574  0.9165  1
  P  P31  1  0.3763  0.6672  0.4160  1
  P  P32  1  0.6234  0.3335  0.5827  1
  P  P33  1  0.6657  0.3755  0.9183  1
  P  P34  1  0.6661  0.9578  0.4158  1
  P  P35  1  0.7091  0.0011  0.7515  1
  P  P36  1  0.7101  0.2909  0.2496  1
  P  P37  1  0.9567  0.3756  0.4169  1
  P  P38  1  0.9594  0.6667  0.9155  1
  O  O39  1  0.0194  0.8191  0.5884  1
  O  O40  1  0.0206  0.1725  0.0909  1
  O  O41  1  0.0240  0.7985  0.3042  1
  O  O42  1  0.0262  0.1711  0.8049  1
  O  O43  1  0.1259  0.5070  0.6414  1
  O  O44  1  0.1261  0.3634  0.1373  1
  O  O45  1  0.1389  0.5033  0.9225  1
  O  O46  1  0.1397  0.3548  0.4225  1
  O  O47  1  0.1543  0.3085  0.0295  1
  O  O48  1  0.1622  0.5286  0.2440  1
  O  O49  1  0.1625  0.5286  0.5275  1
  O  O50  1  0.1666  0.0326  0.5896  1
  O  O51  1  0.1696  0.3202  0.7454  1
  O  O52  1  0.1724  0.7930  0.8036  1
  O  O53  1  0.1752  0.8045  0.0904  1
  O  O54  1  0.1779  0.0232  0.3043  1
  O  O55  1  0.1943  0.8287  0.4092  1
  O  O56  1  0.1949  0.9731  0.9112  1
  O  O57  1  0.2040  0.8221  0.6961  1
  O  O58  1  0.2051  0.9745  0.1964  1
  O  O59  1  0.3032  0.5394  0.0288  1
  O  O60  1  0.3048  0.1584  0.5295  1
  O  O61  1  0.3069  0.1641  0.2450  1
  O  O62  1  0.3072  0.5304  0.7430  1
  O  O63  1  0.3551  0.1394  0.9232  1
  O  O64  1  0.3595  0.5030  0.4215  1
  O  O65  1  0.3631  0.5074  0.1367  1
  O  O66  1  0.3637  0.1255  0.6372  1
  O  O67  1  0.4616  0.6923  0.4703  1
  O  O68  1  0.4636  0.8453  0.9704  1
  O  O69  1  0.4700  0.6937  0.7572  1
  O  O70  1  0.4723  0.8380  0.2574  1
  O  O71  1  0.4871  0.8715  0.8626  1
  O  O72  1  0.4888  0.6435  0.3624  1
  O  O73  1  0.4931  0.8607  0.5761  1
  O  O74  1  0.5002  0.3598  0.9221  1
  O  O75  1  0.5016  0.6312  0.0755  1
  O  O76  1  0.5044  0.1379  0.4226  1
  O  O77  1  0.5049  0.1352  0.1403  1
  O  O78  1  0.5140  0.3583  0.6371  1
  O  O79  1  0.5269  0.3120  0.2441  1
  O  O80  1  0.5304  0.1625  0.7440  1
  O  O81  1  0.5357  0.1675  0.0279  1
  O  O82  1  0.5386  0.3053  0.5290  1
  O  O83  1  0.6428  0.8680  0.3625  1
  O  O84  1  0.6432  0.4891  0.8647  1
  O  O85  1  0.6465  0.8493  0.0777  1
  O  O86  1  0.6468  0.4939  0.5755  1
  O  O87  1  0.6908  0.4573  0.9734  1
  O  O88  1  0.6922  0.4717  0.2571  1
  O  O89  1  0.6925  0.8455  0.4701  1
  O  O90  1  0.6944  0.8357  0.7582  1
  O  O91  1  0.7982  0.0233  0.8050  1
  O  O92  1  0.8002  0.1763  0.3027  1
  O  O93  1  0.8092  0.1755  0.5889  1
  O  O94  1  0.8133  0.0312  0.0905  1
  O  O95  1  0.8183  0.2081  0.1942  1
  O  O96  1  0.8262  0.9654  0.6975  1
  O  O97  1  0.8273  0.1939  0.9110  1
  O  O98  1  0.8301  0.9753  0.4093  1
  O  O99  1  0.8333  0.4893  0.7566  1
  O  O100  1  0.8367  0.6913  0.2573  1
  O  O101  1  0.8444  0.6899  0.9689  1
  O  O102  1  0.8487  0.4583  0.4723  1
  O  O103  1  0.8539  0.6345  0.5763  1
  O  O104  1  0.8566  0.4891  0.0758  1
  O  O105  1  0.8665  0.4904  0.3639  1
  O  O106  1  0.8735  0.6437  0.8604  1
  O  O107  1  0.9716  0.2090  0.6900  1
  O  O108  1  0.9743  0.8212  0.1965  1
  O  O109  1  0.9745  0.1950  0.4095  1
  O  O110  1  0.9768  0.8296  0.9103  1
]