data_[Na15Ca3Ti9Si3P15O72]
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
  Ti  1.5400  1.4000  0.8517
  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 [8.9212]
_cell_length_b [8.9534]
_cell_length_c [22.1390]
_cell_angle_alpha [90.0926]
_cell_angle_beta [90.1626]
_cell_angle_gamma [119.7524]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5CaTi3SiP5O24]
_chemical_formula_sum '[Na15 Ca3 Ti9 Si3 P15 O72]'
_cell_volume [1535.2383]
_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  0.0045  0.6265  0.7460  1
  Na  Na1  1  0.0137  0.3650  0.2422  1
  Na  Na2  1  0.0353  0.3317  0.9250  1
  Na  Na3  1  0.2925  0.3263  0.4119  1
  Na  Na4  1  0.3358  0.6863  0.3328  1
  Na  Na5  1  0.3462  0.6778  0.8406  1
  Na  Na6  1  0.3463  0.9875  0.2430  1
  Na  Na7  1  0.3768  0.3861  0.7455  1
  Na  Na8  1  0.6198  0.9929  0.7470  1
  Na  Na9  1  0.6351  0.6496  0.2436  1
  Na  Na10  1  0.6592  0.3155  0.6608  1
  Na  Na11  1  0.6648  0.3336  0.1563  1
  Na  Na12  1  0.6829  0.6602  0.5849  1
  Na  Na13  1  0.9950  0.9950  0.4985  1
  Na  Na14  1  0.9987  0.9846  0.0023  1
  Ca  Ca15  1  0.3333  0.6677  0.1683  1
  Ca  Ca16  1  0.3340  0.6696  0.6797  1
  Ca  Ca17  1  0.9917  0.9904  0.3589  1
  Ti  Ti18  1  0.0096  0.0109  0.6428  1
  Ti  Ti19  1  0.3258  0.6635  0.4854  1
  Ti  Ti20  1  0.3404  0.6823  0.9850  1
  Ti  Ti21  1  0.6652  0.3271  0.5192  1
  Ti  Ti22  1  0.6670  0.3295  0.8184  1
  Ti  Ti23  1  0.6694  0.3330  0.3142  1
  Ti  Ti24  1  0.6735  0.3365  0.0148  1
  Ti  Ti25  1  0.9953  0.9983  0.1442  1
  Ti  Ti26  1  0.9971  0.9911  0.8602  1
  Si  Si27  1  0.3353  0.3643  0.5845  1
  Si  Si28  1  0.6602  0.0365  0.9157  1
  Si  Si29  1  0.9633  0.6245  0.9167  1
  P  P30  1  0.0240  0.3558  0.0822  1
  P  P31  1  0.0294  0.6675  0.5849  1
  P  P32  1  0.2867  0.0114  0.7521  1
  P  P33  1  0.2974  0.2907  0.2524  1
  P  P34  1  0.3350  0.9798  0.0834  1
  P  P35  1  0.3787  0.3372  0.9156  1
  P  P36  1  0.3932  0.0376  0.4179  1
  P  P37  1  0.6366  0.9703  0.5849  1
  P  P38  1  0.6397  0.6647  0.0837  1
  P  P39  1  0.6509  0.6126  0.4203  1
  P  P40  1  0.7074  0.0073  0.2489  1
  P  P41  1  0.7213  0.7119  0.7513  1
  P  P42  1  0.9654  0.3559  0.4189  1
  P  P43  1  0.9893  0.2776  0.7529  1
  P  P44  1  0.9928  0.7015  0.2491  1
  O  O45  1  0.0124  0.1749  0.0857  1
  O  O46  1  0.0160  0.8347  0.5859  1
  O  O47  1  0.0281  0.8067  0.3061  1
  O  O48  1  0.0815  0.4431  0.1433  1
  O  O49  1  0.0855  0.6348  0.6460  1
  O  O50  1  0.1418  0.6653  0.2404  1
  O  O51  1  0.1456  0.5246  0.4215  1
  O  O52  1  0.1486  0.4587  0.7509  1
  O  O53  1  0.1493  0.4599  0.0298  1
  O  O54  1  0.1503  0.6349  0.9252  1
  O  O55  1  0.1539  0.1789  0.5898  1
  O  O56  1  0.1602  0.6891  0.5338  1
  O  O57  1  0.1617  0.9820  0.0854  1
  O  O58  1  0.1820  0.0061  0.8076  1
  O  O59  1  0.1898  0.0184  0.6939  1
  O  O60  1  0.1911  0.1651  0.1990  1
  O  O61  1  0.1927  0.1772  0.9099  1
  O  O62  1  0.2046  0.2237  0.3123  1
  O  O63  1  0.2218  0.0358  0.4215  1
  O  O64  1  0.3063  0.8505  0.7523  1
  O  O65  1  0.3091  0.4773  0.5288  1
  O  O66  1  0.3127  0.8398  0.0339  1
  O  O67  1  0.3300  0.4738  0.2433  1
  O  O68  1  0.3554  0.4958  0.9213  1
  O  O69  1  0.3708  0.9273  0.1444  1
  O  O70  1  0.3755  0.8582  0.4224  1
  O  O71  1  0.3926  0.4749  0.6456  1
  O  O72  1  0.4676  0.1784  0.7514  1
  O  O73  1  0.4701  0.3099  0.9686  1
  O  O74  1  0.4773  0.2943  0.2542  1
  O  O75  1  0.4798  0.6205  0.4204  1
  O  O76  1  0.4852  0.1563  0.0670  1
  O  O77  1  0.4875  0.3576  0.8562  1
  O  O78  1  0.4931  0.8470  0.9274  1
  O  O79  1  0.4938  0.1301  0.3578  1
  O  O80  1  0.4938  0.3257  0.5712  1
  O  O81  1  0.5060  0.1502  0.4706  1
  O  O82  1  0.5210  0.6850  0.0350  1
  O  O83  1  0.5226  0.8591  0.2414  1
  O  O84  1  0.5234  0.8328  0.5359  1
  O  O85  1  0.5422  0.6977  0.7546  1
  O  O86  1  0.5483  0.9219  0.6463  1
  O  O87  1  0.5587  0.6358  0.1458  1
  O  O88  1  0.6305  0.1254  0.8531  1
  O  O89  1  0.6415  0.5046  0.3615  1
  O  O90  1  0.6464  0.5057  0.4755  1
  O  O91  1  0.6631  0.5102  0.0690  1
  O  O92  1  0.6796  0.1553  0.5708  1
  O  O93  1  0.6985  0.1755  0.9681  1
  O  O94  1  0.7024  0.5285  0.7547  1
  O  O95  1  0.7077  0.1845  0.2524  1
  O  O96  1  0.7818  0.9772  0.3058  1
  O  O97  1  0.8091  0.7888  0.4241  1
  O  O98  1  0.8092  0.9647  0.5868  1
  O  O99  1  0.8167  0.5242  0.2541  1
  O  O100  1  0.8182  0.8353  0.0847  1
  O  O101  1  0.8185  0.7950  0.6918  1
  O  O102  1  0.8199  0.2913  0.7514  1
  O  O103  1  0.8261  0.0256  0.1931  1
  O  O104  1  0.8271  0.8232  0.8060  1
  O  O105  1  0.8344  0.5254  0.9716  1
  O  O106  1  0.8371  0.0224  0.9095  1
  O  O107  1  0.8402  0.3287  0.0709  1
  O  O108  1  0.8440  0.5170  0.5730  1
  O  O109  1  0.8568  0.3551  0.4720  1
  O  O110  1  0.8661  0.4967  0.8562  1
  O  O111  1  0.8715  0.3581  0.3583  1
  O  O112  1  0.9689  0.7993  0.1938  1
  O  O113  1  0.9776  0.1675  0.6960  1
  O  O114  1  0.9886  0.8178  0.9094  1
  O  O115  1  0.9957  0.2028  0.4220  1
  O  O116  1  0.9992  0.1879  0.8104  1
]