data_[Na15Hf6Si9Sn6P9O72]
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
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.9908]
_cell_length_b [8.9918]
_cell_length_c [22.8431]
_cell_angle_alpha [89.8998]
_cell_angle_beta [89.9515]
_cell_angle_gamma [60.0752]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Hf2Si3Sn2(PO8)3]
_chemical_formula_sum '[Na15 Hf6 Si9 Sn6 P9 O72]'
_cell_volume [1600.5156]
_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  0.0001  0.9992  0.9999  1
  Na  Na1  1  0.0066  0.9962  0.5001  1
  Na  Na2  1  0.0300  0.2986  0.0815  1
  Na  Na3  1  0.0375  0.6619  0.5841  1
  Na  Na4  1  0.2985  0.0312  0.5814  1
  Na  Na5  1  0.3312  0.9722  0.9184  1
  Na  Na6  1  0.3403  0.3426  0.1674  1
  Na  Na7  1  0.3434  0.3394  0.6663  1
  Na  Na8  1  0.3704  1.0000  0.2502  1
  Na  Na9  1  0.6631  0.0344  0.0855  1
  Na  Na10  1  0.6681  0.6657  0.3334  1
  Na  Na11  1  0.6733  0.6647  0.8331  1
  Na  Na12  1  0.7000  0.9652  0.4144  1
  Na  Na13  1  0.9706  0.3359  0.4180  1
  Na  Na14  1  0.9998  0.3685  0.7499  1
  Hf  Hf15  1  0.3297  0.3413  0.8133  1
  Hf  Hf16  1  0.3339  0.3345  0.0187  1
  Hf  Hf17  1  0.3343  0.3346  0.3142  1
  Hf  Hf18  1  0.6677  0.6656  0.1864  1
  Hf  Hf19  1  0.6710  0.6568  0.9808  1
  Hf  Hf20  1  0.9931  0.9987  0.8525  1
  Si  Si21  1  0.0379  0.3351  0.9160  1
  Si  Si22  1  0.0408  0.6272  0.4174  1
  Si  Si23  1  0.3336  0.0389  0.4169  1
  Si  Si24  1  0.3728  0.9556  0.0833  1
  Si  Si25  1  0.3782  0.6631  0.5842  1
  Si  Si26  1  0.6652  0.3743  0.0851  1
  Si  Si27  1  0.7091  0.0003  0.2501  1
  Si  Si28  1  0.9562  0.3729  0.5836  1
  Si  Si29  1  0.9953  0.7101  0.7481  1
  Sn  Sn30  1  0.0005  0.9982  0.1485  1
  Sn  Sn31  1  0.0056  0.9911  0.3518  1
  Sn  Sn32  1  0.3304  0.3388  0.5183  1
  Sn  Sn33  1  0.6616  0.6657  0.4817  1
  Sn  Sn34  1  0.6650  0.6673  0.6854  1
  Sn  Sn35  1  0.9991  0.0001  0.6485  1
  P  P36  1  0.2903  0.7084  0.2492  1
  P  P37  1  0.2948  0.9967  0.7504  1
  P  P38  1  0.3331  0.6250  0.9163  1
  P  P39  1  0.6233  0.3346  0.4165  1
  P  P40  1  0.6240  0.0433  0.9167  1
  P  P41  1  0.6657  0.9601  0.5828  1
  P  P42  1  0.7091  0.2900  0.7492  1
  P  P43  1  0.9574  0.6673  0.0835  1
  P  P44  1  0.9987  0.2915  0.2510  1
  O  O45  1  0.0089  0.8230  0.4125  1
  O  O46  1  0.0296  0.7888  0.6884  1
  O  O47  1  0.0315  0.1565  0.9094  1
  O  O48  1  0.0385  0.1760  0.1957  1
  O  O49  1  0.1309  0.5009  0.3621  1
  O  O50  1  0.1339  0.3568  0.8584  1
  O  O51  1  0.1343  0.5044  0.0760  1
  O  O52  1  0.1505  0.3504  0.5789  1
  O  O53  1  0.1518  0.5505  0.4774  1
  O  O54  1  0.1534  0.0353  0.4098  1
  O  O55  1  0.1594  0.3011  0.9739  1
  O  O56  1  0.1639  0.5162  0.7550  1
  O  O57  1  0.1644  0.3034  0.2569  1
  O  O58  1  0.1747  0.8069  0.9094  1
  O  O59  1  0.1782  0.9850  0.0900  1
  O  O60  1  0.1786  0.7896  0.1944  1
  O  O61  1  0.1797  0.0379  0.6947  1
  O  O62  1  0.1846  0.8364  0.5890  1
  O  O63  1  0.2063  0.9733  0.8047  1
  O  O64  1  0.2155  0.8270  0.3036  1
  O  O65  1  0.2970  0.1575  0.4757  1
  O  O66  1  0.3067  0.5403  0.9706  1
  O  O67  1  0.3084  0.5313  0.2568  1
  O  O68  1  0.3097  0.1607  0.7573  1
  O  O69  1  0.3522  0.1485  0.0771  1
  O  O70  1  0.3528  0.4955  0.5786  1
  O  O71  1  0.3617  0.5121  0.8623  1
  O  O72  1  0.3684  0.1264  0.3595  1
  O  O73  1  0.4532  0.7140  0.5271  1
  O  O74  1  0.4612  0.8440  0.0245  1
  O  O75  1  0.4677  0.6959  0.2431  1
  O  O76  1  0.4728  0.8355  0.7445  1
  O  O77  1  0.4902  0.6515  0.9223  1
  O  O78  1  0.4928  0.6345  0.6422  1
  O  O79  1  0.4951  0.8734  0.1408  1
  O  O80  1  0.5013  0.1372  0.5761  1
  O  O81  1  0.5014  0.3459  0.0774  1
  O  O82  1  0.5074  0.1314  0.8636  1
  O  O83  1  0.5107  0.8536  0.4219  1
  O  O84  1  0.5111  0.3610  0.3628  1
  O  O85  1  0.5150  0.1679  0.2550  1
  O  O86  1  0.5312  0.3086  0.7572  1
  O  O87  1  0.5427  0.1518  0.9726  1
  O  O88  1  0.5484  0.2939  0.4713  1
  O  O89  1  0.6271  0.8814  0.6367  1
  O  O90  1  0.6349  0.8669  0.9231  1
  O  O91  1  0.6410  0.4923  0.1413  1
  O  O92  1  0.6475  0.4927  0.4212  1
  O  O93  1  0.6827  0.8327  0.2454  1
  O  O94  1  0.6987  0.4676  0.7451  1
  O  O95  1  0.7041  0.8475  0.5270  1
  O  O96  1  0.7064  0.4599  0.0286  1
  O  O97  1  0.7891  0.1808  0.6938  1
  O  O98  1  0.7913  0.0310  0.1904  1
  O  O99  1  0.8034  0.0239  0.9104  1
  O  O100  1  0.8052  0.1731  0.4103  1
  O  O101  1  0.8230  0.9698  0.3094  1
  O  O102  1  0.8273  0.6821  0.7449  1
  O  O103  1  0.8275  0.2050  0.8026  1
  O  O104  1  0.8304  0.9726  0.5893  1
  O  O105  1  0.8393  0.1820  0.0887  1
  O  O106  1  0.8405  0.4689  0.2442  1
  O  O107  1  0.8408  0.7009  0.0297  1
  O  O108  1  0.8455  0.4542  0.5237  1
  O  O109  1  0.8496  0.6424  0.4225  1
  O  O110  1  0.8507  0.5063  0.9214  1
  O  O111  1  0.8764  0.6337  0.1375  1
  O  O112  1  0.8801  0.4952  0.6414  1
  O  O113  1  0.9702  0.8297  0.8045  1
  O  O114  1  0.9709  0.8316  0.0892  1
  O  O115  1  0.9710  0.2092  0.3066  1
  O  O116  1  0.9844  0.1788  0.5900  1
]