data_[Na18Ti6Si12Sn6P6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  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 [8.9712]
_cell_length_b [8.9862]
_cell_length_c [22.1599]
_cell_angle_alpha [90.1568]
_cell_angle_beta [90.0318]
_cell_angle_gamma [119.9116]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3TiSi2SnPO12]
_chemical_formula_sum '[Na18 Ti6 Si12 Sn6 P6 O72]'
_cell_volume [1548.4876]
_cell_formula_units_Z [6]
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  0.0029  0.0047  0.5007  1
  Na  Na1  1  0.0348  0.7029  0.5849  1
  Na  Na2  1  0.3051  0.9734  0.0859  1
  Na  Na3  1  0.3314  0.3056  0.9180  1
  Na  Na4  1  0.3341  0.6704  0.6643  1
  Na  Na5  1  0.3369  0.0368  0.4193  1
  Na  Na6  1  0.3406  0.6706  0.1668  1
  Na  Na7  1  0.3691  0.3699  0.2515  1
  Na  Na8  1  0.6387  0.6305  0.7485  1
  Na  Na9  1  0.6644  0.9631  0.5823  1
  Na  Na10  1  0.6650  0.3377  0.3370  1
  Na  Na11  1  0.6673  0.7012  0.0857  1
  Na  Na12  1  0.6743  0.3405  0.8316  1
  Na  Na13  1  0.7024  0.0333  0.9187  1
  Na  Na14  1  0.9648  0.2978  0.4166  1
  Na  Na15  1  0.9954  0.3657  0.7512  1
  Na  Na16  1  0.9974  0.0068  0.0018  1
  Na  Na17  1  0.9999  0.6346  0.2512  1
  Ti  Ti18  1  0.0017  0.9898  0.3549  1
  Ti  Ti19  1  0.0054  0.0017  0.6467  1
  Ti  Ti20  1  0.3221  0.6577  0.5194  1
  Ti  Ti21  1  0.6627  0.3360  0.4823  1
  Ti  Ti22  1  0.6702  0.3252  0.6845  1
  Ti  Ti23  1  0.9974  0.0046  0.1476  1
  Si  Si24  1  0.0374  0.6630  0.4169  1
  Si  Si25  1  0.0387  0.3744  0.9138  1
  Si  Si26  1  0.2892  0.9991  0.2504  1
  Si  Si27  1  0.3364  0.3761  0.4159  1
  Si  Si28  1  0.3693  0.3315  0.0846  1
  Si  Si29  1  0.3750  0.0443  0.5822  1
  Si  Si30  1  0.6290  0.6666  0.9161  1
  Si  Si31  1  0.6697  0.0407  0.0825  1
  Si  Si32  1  0.7071  0.0005  0.7480  1
  Si  Si33  1  0.7126  0.7146  0.2491  1
  Si  Si34  1  0.9580  0.3307  0.5824  1
  Si  Si35  1  0.9995  0.7078  0.7469  1
  Sn  Sn36  1  0.3310  0.6687  0.8117  1
  Sn  Sn37  1  0.3321  0.6614  0.0192  1
  Sn  Sn38  1  0.3406  0.6708  0.3145  1
  Sn  Sn39  1  0.6634  0.3281  0.1878  1
  Sn  Sn40  1  0.6720  0.3356  0.9814  1
  Sn  Sn41  1  0.9958  0.9957  0.8512  1
  P  P42  1  0.2944  0.2863  0.7493  1
  P  P43  1  0.3304  0.9575  0.9178  1
  P  P44  1  0.6262  0.9581  0.4196  1
  P  P45  1  0.6623  0.6199  0.5847  1
  P  P46  1  0.9609  0.6281  0.0858  1
  P  P47  1  0.9974  0.2834  0.2522  1
  O  O48  1  0.0202  0.1930  0.1962  1
  O  O49  1  0.0238  0.8286  0.6880  1
  O  O50  1  0.0295  0.8416  0.4114  1
  O  O51  1  0.0299  0.1859  0.9119  1
  O  O52  1  0.1167  0.6209  0.3563  1
  O  O53  1  0.1169  0.4834  0.8517  1
  O  O54  1  0.1448  0.6561  0.0790  1
  O  O55  1  0.1454  0.5084  0.5760  1
  O  O56  1  0.1584  0.1874  0.4132  1
  O  O57  1  0.1640  0.4651  0.2521  1
  O  O58  1  0.1644  0.4604  0.9716  1
  O  O59  1  0.1675  0.1888  0.6967  1
  O  O60  1  0.1679  0.6815  0.7490  1
  O  O61  1  0.1685  0.7014  0.4749  1
  O  O62  1  0.1689  0.9740  0.1912  1
  O  O63  1  0.1753  0.9855  0.9113  1
  O  O64  1  0.1810  0.0169  0.5889  1
  O  O65  1  0.1831  0.1562  0.0921  1
  O  O66  1  0.1949  0.0265  0.3104  1
  O  O67  1  0.2224  0.1881  0.8094  1
  O  O68  1  0.2954  0.8196  0.2538  1
  O  O69  1  0.3022  0.8551  0.9764  1
  O  O70  1  0.3030  0.4653  0.7500  1
  O  O71  1  0.3061  0.4832  0.4708  1
  O  O72  1  0.3573  0.5066  0.0807  1
  O  O73  1  0.3621  0.8549  0.5781  1
  O  O74  1  0.3672  0.8748  0.8630  1
  O  O75  1  0.3716  0.4844  0.3531  1
  O  O76  1  0.4513  0.2892  0.0247  1
  O  O77  1  0.4670  0.1613  0.5223  1
  O  O78  1  0.4754  0.1772  0.2497  1
  O  O79  1  0.4759  0.3160  0.7416  1
  O  O80  1  0.4919  0.8509  0.0796  1
  O  O81  1  0.4953  0.1385  0.9207  1
  O  O82  1  0.4963  0.3782  0.1438  1
  O  O83  1  0.5003  0.3455  0.4245  1
  O  O84  1  0.5065  0.6471  0.5768  1
  O  O85  1  0.5070  0.8839  0.3629  1
  O  O86  1  0.5073  0.6288  0.8557  1
  O  O87  1  0.5075  0.1468  0.6382  1
  O  O88  1  0.5170  0.6839  0.2518  1
  O  O89  1  0.5236  0.8193  0.7514  1
  O  O90  1  0.5401  0.8476  0.4756  1
  O  O91  1  0.5493  0.7089  0.9760  1
  O  O92  1  0.6237  0.1259  0.1394  1
  O  O93  1  0.6338  0.4871  0.9216  1
  O  O94  1  0.6396  0.5160  0.6423  1
  O  O95  1  0.6458  0.1408  0.4242  1
  O  O96  1  0.6900  0.1728  0.7402  1
  O  O97  1  0.6920  0.5277  0.5299  1
  O  O98  1  0.7041  0.1504  0.0204  1
  O  O99  1  0.7051  0.5263  0.2482  1
  O  O100  1  0.8040  0.8265  0.1887  1
  O  O101  1  0.8068  0.9719  0.6906  1
  O  O102  1  0.8078  0.9818  0.4120  1
  O  O103  1  0.8157  0.8413  0.9128  1
  O  O104  1  0.8257  0.0493  0.8092  1
  O  O105  1  0.8258  0.5174  0.7413  1
  O  O106  1  0.8292  0.8009  0.5868  1
  O  O107  1  0.8325  0.3014  0.5243  1
  O  O108  1  0.8345  0.0108  0.0901  1
  O  O109  1  0.8385  0.8159  0.3069  1
  O  O110  1  0.8406  0.3123  0.2470  1
  O  O111  1  0.8412  0.5463  0.0310  1
  O  O112  1  0.8428  0.3421  0.9185  1
  O  O113  1  0.8510  0.4911  0.4256  1
  O  O114  1  0.8700  0.3687  0.6417  1
  O  O115  1  0.8867  0.5205  0.1438  1
  O  O116  1  0.9564  0.7881  0.8059  1
  O  O117  1  0.9685  0.1555  0.5895  1
  O  O118  1  0.9777  0.1833  0.3100  1
  O  O119  1  0.9780  0.8084  0.0901  1
]