data_[Na15Ca3Hf9Si3P15O72]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0583]
_cell_length_b [9.0945]
_cell_length_c [22.9564]
_cell_angle_alpha [90.1238]
_cell_angle_beta [90.0673]
_cell_angle_gamma [119.8038]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5CaHf3SiP5O24]
_chemical_formula_sum '[Na15 Ca3 Hf9 Si3 P15 O72]'
_cell_volume [1641.0228]
_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  0.0085  0.6344  0.7478  1
  Na  Na1  1  0.0134  0.3691  0.2440  1
  Na  Na2  1  0.0266  0.3330  0.9223  1
  Na  Na3  1  0.2925  0.3246  0.4146  1
  Na  Na4  1  0.3342  0.6784  0.3314  1
  Na  Na5  1  0.3420  0.6792  0.8394  1
  Na  Na6  1  0.3542  0.9870  0.2444  1
  Na  Na7  1  0.3671  0.3780  0.7439  1
  Na  Na8  1  0.6251  0.9907  0.7481  1
  Na  Na9  1  0.6319  0.6453  0.2440  1
  Na  Na10  1  0.6598  0.3235  0.6610  1
  Na  Na11  1  0.6659  0.3336  0.1586  1
  Na  Na12  1  0.6835  0.6592  0.5839  1
  Na  Na13  1  0.9948  0.9852  0.0028  1
  Na  Na14  1  1.0000  0.0006  0.4947  1
  Ca  Ca15  1  0.3323  0.6651  0.6792  1
  Ca  Ca16  1  0.3335  0.6675  0.1748  1
  Ca  Ca17  1  0.9922  0.9912  0.3554  1
  Hf  Hf18  1  0.0086  0.0094  0.6436  1
  Hf  Hf19  1  0.3296  0.6672  0.4830  1
  Hf  Hf20  1  0.3391  0.6766  0.9834  1
  Hf  Hf21  1  0.6670  0.3317  0.8193  1
  Hf  Hf22  1  0.6674  0.3282  0.5185  1
  Hf  Hf23  1  0.6689  0.3330  0.3163  1
  Hf  Hf24  1  0.6699  0.3348  0.0169  1
  Hf  Hf25  1  0.9979  0.9925  0.8582  1
  Hf  Hf26  1  0.9984  0.9995  0.1450  1
  Si  Si27  1  0.3352  0.3683  0.5831  1
  Si  Si28  1  0.6620  0.0370  0.9161  1
  Si  Si29  1  0.9625  0.6252  0.9172  1
  P  P30  1  0.0312  0.3636  0.0826  1
  P  P31  1  0.0327  0.6667  0.5841  1
  P  P32  1  0.2905  0.0074  0.7515  1
  P  P33  1  0.2963  0.2923  0.2523  1
  P  P34  1  0.3343  0.9712  0.0839  1
  P  P35  1  0.3756  0.3361  0.9166  1
  P  P36  1  0.3819  0.0399  0.4174  1
  P  P37  1  0.6316  0.9654  0.5843  1
  P  P38  1  0.6352  0.6653  0.0840  1
  P  P39  1  0.6595  0.6197  0.4195  1
  P  P40  1  0.7071  0.0043  0.2502  1
  P  P41  1  0.7154  0.7097  0.7507  1
  P  P42  1  0.9643  0.3431  0.4178  1
  P  P43  1  0.9931  0.2839  0.7524  1
  P  P44  1  0.9959  0.7035  0.2503  1
  O  O45  1  0.0079  0.8250  0.5880  1
  O  O46  1  0.0134  0.1960  0.8064  1
  O  O47  1  0.0173  0.1850  0.0876  1
  O  O48  1  0.0283  0.8103  0.3041  1
  O  O49  1  0.0921  0.6345  0.6420  1
  O  O50  1  0.0954  0.4570  0.1400  1
  O  O51  1  0.1417  0.5087  0.4226  1
  O  O52  1  0.1447  0.6303  0.9247  1
  O  O53  1  0.1456  0.6703  0.2434  1
  O  O54  1  0.1484  0.4574  0.0296  1
  O  O55  1  0.1488  0.4626  0.7492  1
  O  O56  1  0.1551  0.6930  0.5331  1
  O  O57  1  0.1631  0.1814  0.5878  1
  O  O58  1  0.1675  0.9821  0.0878  1
  O  O59  1  0.1796  0.9900  0.8042  1
  O  O60  1  0.1947  0.1801  0.9083  1
  O  O61  1  0.1977  0.2213  0.3084  1
  O  O62  1  0.2015  0.0275  0.6965  1
  O  O63  1  0.2028  0.1720  0.1995  1
  O  O64  1  0.2116  0.0350  0.4172  1
  O  O65  1  0.3102  0.8462  0.0329  1
  O  O66  1  0.3108  0.4697  0.5274  1
  O  O67  1  0.3123  0.8506  0.7493  1
  O  O68  1  0.3265  0.4729  0.2446  1
  O  O69  1  0.3504  0.4911  0.9240  1
  O  O70  1  0.3661  0.9113  0.1417  1
  O  O71  1  0.3667  0.8638  0.4238  1
  O  O72  1  0.3835  0.4738  0.6432  1
  O  O73  1  0.4621  0.3070  0.9682  1
  O  O74  1  0.4682  0.1730  0.7550  1
  O  O75  1  0.4768  0.3030  0.2562  1
  O  O76  1  0.4823  0.3603  0.8600  1
  O  O77  1  0.4829  0.1545  0.4689  1
  O  O78  1  0.4861  0.1480  0.0711  1
  O  O79  1  0.4870  0.1261  0.3609  1
  O  O80  1  0.4891  0.6248  0.4234  1
  O  O81  1  0.4988  0.8490  0.9245  1
  O  O82  1  0.5029  0.3484  0.5718  1
  O  O83  1  0.5249  0.8551  0.2436  1
  O  O84  1  0.5336  0.8399  0.5337  1
  O  O85  1  0.5343  0.6886  0.0332  1
  O  O86  1  0.5378  0.6926  0.7508  1
  O  O87  1  0.5389  0.9084  0.6422  1
  O  O88  1  0.5459  0.6369  0.1422  1
  O  O89  1  0.6351  0.1226  0.8561  1
  O  O90  1  0.6369  0.5085  0.3637  1
  O  O91  1  0.6571  0.5106  0.0722  1
  O  O92  1  0.6645  0.1448  0.5717  1
  O  O93  1  0.6697  0.5213  0.4723  1
  O  O94  1  0.6978  0.1739  0.2556  1
  O  O95  1  0.6980  0.1672  0.9688  1
  O  O96  1  0.6983  0.5301  0.7563  1
  O  O97  1  0.7832  0.9741  0.3040  1
  O  O98  1  0.8054  0.9677  0.5884  1
  O  O99  1  0.8135  0.8303  0.0876  1
  O  O100  1  0.8139  0.8241  0.8027  1
  O  O101  1  0.8142  0.7939  0.4194  1
  O  O102  1  0.8201  0.7906  0.6944  1
  O  O103  1  0.8242  0.0321  0.1964  1
  O  O104  1  0.8264  0.5249  0.2562  1
  O  O105  1  0.8265  0.2971  0.7551  1
  O  O106  1  0.8373  0.5301  0.9705  1
  O  O107  1  0.8402  0.0324  0.9088  1
  O  O108  1  0.8514  0.3397  0.0728  1
  O  O109  1  0.8521  0.5152  0.5721  1
  O  O110  1  0.8527  0.3300  0.4694  1
  O  O111  1  0.8754  0.5085  0.8576  1
  O  O112  1  0.8760  0.3581  0.3612  1
  O  O113  1  0.9666  0.7921  0.1965  1
  O  O114  1  0.9711  0.1716  0.6980  1
  O  O115  1  0.9866  0.8137  0.9098  1
  O  O116  1  0.9938  0.1925  0.4177  1
]