data_[Na9Ti6Si3Sn6P15O72]
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 [8.7485]
_cell_length_b [8.7579]
_cell_length_c [22.5432]
_cell_angle_alpha [89.9872]
_cell_angle_beta [89.9246]
_cell_angle_gamma [60.1000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Ti2SiSn2P5O24]
_chemical_formula_sum '[Na9 Ti6 Si3 Sn6 P15 O72]'
_cell_volume [1497.3302]
_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  0.0293  0.6681  0.9178  1
  Na  Na1  1  0.3054  0.6631  0.4162  1
  Na  Na2  1  0.3268  0.3264  0.3335  1
  Na  Na3  1  0.3421  0.3234  0.8320  1
  Na  Na4  1  0.6334  0.3655  0.2496  1
  Na  Na5  1  0.6628  0.6763  0.1663  1
  Na  Na6  1  0.6667  0.6666  0.6669  1
  Na  Na7  1  0.9893  0.0120  0.5021  1
  Na  Na8  1  0.9990  0.0075  0.9993  1
  Ti  Ti9  1  0.0013  0.9998  0.6469  1
  Ti  Ti10  1  0.3258  0.3415  0.1861  1
  Ti  Ti11  1  0.3318  0.3337  0.6866  1
  Ti  Ti12  1  0.3400  0.3282  0.4813  1
  Ti  Ti13  1  0.3435  0.3221  0.9802  1
  Ti  Ti14  1  0.9942  0.0060  0.8524  1
  Si  Si15  1  0.2904  0.7100  0.2496  1
  Si  Si16  1  0.6646  0.9598  0.9159  1
  Si  Si17  1  0.6710  0.3694  0.4179  1
  Sn  Sn18  1  0.0031  0.9973  0.1453  1
  Sn  Sn19  1  0.6632  0.6698  0.8126  1
  Sn  Sn20  1  0.6638  0.6700  0.3152  1
  Sn  Sn21  1  0.6670  0.6680  0.0198  1
  Sn  Sn22  1  0.6697  0.6631  0.5219  1
  Sn  Sn23  1  0.9972  0.0012  0.3518  1
  P  P24  1  0.0025  0.7116  0.7493  1
  P  P25  1  0.0041  0.2906  0.2490  1
  P  P26  1  0.0455  0.6201  0.0818  1
  P  P27  1  0.0486  0.3311  0.5845  1
  P  P28  1  0.2852  0.0018  0.7490  1
  P  P29  1  0.3302  0.6222  0.5843  1
  P  P30  1  0.3334  0.0478  0.0837  1
  P  P31  1  0.3749  0.6668  0.9165  1
  P  P32  1  0.3761  0.9621  0.4182  1
  P  P33  1  0.6209  0.3337  0.0838  1
  P  P34  1  0.6213  0.0473  0.5847  1
  P  P35  1  0.7057  0.9995  0.2480  1
  P  P36  1  0.7122  0.2862  0.7488  1
  P  P37  1  0.9584  0.3726  0.9168  1
  P  P38  1  0.9585  0.6638  0.4183  1
  O  O39  1  0.0257  0.8060  0.0857  1
  O  O40  1  0.0282  0.7944  0.8066  1
  O  O41  1  0.0283  0.1657  0.5916  1
  O  O42  1  0.0383  0.1788  0.3053  1
  O  O43  1  0.1392  0.5068  0.1376  1
  O  O44  1  0.1400  0.3564  0.6397  1
  O  O45  1  0.1407  0.3599  0.9254  1
  O  O46  1  0.1443  0.4997  0.4256  1
  O  O47  1  0.1536  0.5352  0.0254  1
  O  O48  1  0.1606  0.3061  0.5285  1
  O  O49  1  0.1629  0.0343  0.0855  1
  O  O50  1  0.1637  0.8066  0.5918  1
  O  O51  1  0.1688  0.3080  0.2404  1
  O  O52  1  0.1692  0.5270  0.7417  1
  O  O53  1  0.1727  0.0272  0.8049  1
  O  O54  1  0.1793  0.7812  0.3113  1
  O  O55  1  0.1884  0.8303  0.9078  1
  O  O56  1  0.1937  0.9768  0.6937  1
  O  O57  1  0.1949  0.9717  0.4120  1
  O  O58  1  0.2081  0.8315  0.1919  1
  O  O59  1  0.3049  0.5395  0.5269  1
  O  O60  1  0.3051  0.1675  0.7419  1
  O  O61  1  0.3123  0.1599  0.0277  1
  O  O62  1  0.3161  0.5103  0.2406  1
  O  O63  1  0.3456  0.5069  0.9253  1
  O  O64  1  0.3527  0.1466  0.4264  1
  O  O65  1  0.3561  0.1371  0.1390  1
  O  O66  1  0.3574  0.5024  0.6385  1
  O  O67  1  0.4520  0.7044  0.9723  1
  O  O68  1  0.4560  0.8404  0.4726  1
  O  O69  1  0.4694  0.8324  0.7520  1
  O  O70  1  0.4881  0.8881  0.3615  1
  O  O71  1  0.4882  0.3584  0.4271  1
  O  O72  1  0.4915  0.6781  0.2533  1
  O  O73  1  0.4915  0.6239  0.8609  1
  O  O74  1  0.4937  0.1555  0.9262  1
  O  O75  1  0.4970  0.6425  0.5812  1
  O  O76  1  0.4994  0.8619  0.0796  1
  O  O77  1  0.5037  0.1373  0.6393  1
  O  O78  1  0.5131  0.3570  0.1408  1
  O  O79  1  0.5223  0.1661  0.2408  1
  O  O80  1  0.5277  0.3044  0.7421  1
  O  O81  1  0.5296  0.3101  0.0288  1
  O  O82  1  0.5340  0.1605  0.5284  1
  O  O83  1  0.6194  0.4918  0.3576  1
  O  O84  1  0.6227  0.8817  0.8573  1
  O  O85  1  0.6376  0.5015  0.0790  1
  O  O86  1  0.6383  0.8624  0.5796  1
  O  O87  1  0.6917  0.8327  0.2552  1
  O  O88  1  0.6953  0.4712  0.7542  1
  O  O89  1  0.7031  0.4584  0.4754  1
  O  O90  1  0.7217  0.8301  0.9737  1
  O  O91  1  0.7798  0.0455  0.3036  1
  O  O92  1  0.7998  0.1728  0.8050  1
  O  O93  1  0.8057  0.0291  0.5913  1
  O  O94  1  0.8058  0.1660  0.0870  1
  O  O95  1  0.8202  0.9676  0.1928  1
  O  O96  1  0.8294  0.1964  0.6941  1
  O  O97  1  0.8357  0.6912  0.7528  1
  O  O98  1  0.8379  0.4755  0.2555  1
  O  O99  1  0.8417  0.7043  0.4732  1
  O  O100  1  0.8419  0.1757  0.4123  1
  O  O101  1  0.8423  0.4479  0.9726  1
  O  O102  1  0.8423  0.9777  0.9061  1
  O  O103  1  0.8616  0.6330  0.0809  1
  O  O104  1  0.8642  0.5003  0.5818  1
  O  O105  1  0.8811  0.6315  0.3613  1
  O  O106  1  0.8814  0.4947  0.8619  1
  O  O107  1  0.9555  0.2154  0.1946  1
  O  O108  1  0.9757  0.8308  0.6949  1
  O  O109  1  0.9821  0.1879  0.9073  1
  O  O110  1  0.9869  0.8249  0.4129  1
]