data_[Na9Mg4Ta8Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  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 [8.8005]
_cell_length_b [8.8020]
_cell_length_c [22.6332]
_cell_angle_alpha [89.8557]
_cell_angle_beta [89.9520]
_cell_angle_gamma [60.0437]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na9Mg4Ta8Si3(P5O24)3]
_chemical_formula_sum '[Na9 Mg4 Ta8 Si3 P15 O72]'
_cell_volume [1518.9867]
_cell_formula_units_Z [1]
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  0.0044  0.9888  0.5064  1
  Na  Na1  1  0.0164  0.3568  0.2564  1
  Na  Na2  1  0.0310  0.2892  0.5893  1
  Na  Na3  1  0.3308  0.3337  0.6761  1
  Na  Na4  1  0.3454  0.3336  0.1753  1
  Na  Na5  1  0.6274  0.3580  0.7566  1
  Na  Na6  1  0.6607  0.6724  0.3353  1
  Na  Na7  1  0.6675  0.6731  0.8350  1
  Na  Na8  1  0.9987  0.0014  0.0077  1
  Mg  Mg9  1  0.0026  0.9937  0.6459  1
  Mg  Mg10  1  0.3287  0.3348  0.8149  1
  Mg  Mg11  1  0.3355  0.3358  0.3143  1
  Mg  Mg12  1  0.9984  0.0004  0.1454  1
  Ta  Ta13  1  0.0006  0.9997  0.8542  1
  Ta  Ta14  1  0.0014  0.0005  0.3536  1
  Ta  Ta15  1  0.3351  0.3292  0.5196  1
  Ta  Ta16  1  0.3375  0.3313  0.0209  1
  Ta  Ta17  1  0.6625  0.6758  0.6893  1
  Ta  Ta18  1  0.6637  0.6696  0.1890  1
  Ta  Ta19  1  0.6640  0.6684  0.4784  1
  Ta  Ta20  1  0.6675  0.6639  0.9790  1
  Si  Si21  1  0.0446  0.3332  0.4127  1
  Si  Si22  1  0.3715  0.9580  0.5829  1
  Si  Si23  1  0.6219  0.3318  0.9125  1
  P  P24  1  0.0051  0.7112  0.2469  1
  P  P25  1  0.0064  0.2878  0.7467  1
  P  P26  1  0.0477  0.6198  0.9158  1
  P  P27  1  0.2851  0.7094  0.7477  1
  P  P28  1  0.2872  0.0019  0.2474  1
  P  P29  1  0.3326  0.6202  0.4148  1
  P  P30  1  0.3337  0.0469  0.9157  1
  P  P31  1  0.3756  0.6689  0.0833  1
  P  P32  1  0.6215  0.0462  0.4143  1
  P  P33  1  0.6618  0.3813  0.5844  1
  P  P34  1  0.6678  0.9554  0.0830  1
  P  P35  1  0.7074  0.2850  0.2471  1
  P  P36  1  0.7125  0.0017  0.7482  1
  P  P37  1  0.9535  0.6701  0.5829  1
  P  P38  1  0.9564  0.3764  0.0841  1
  O  O39  1  0.0199  0.1911  0.6900  1
  O  O40  1  0.0215  0.7993  0.1926  1
  O  O41  1  0.0235  0.1560  0.4094  1
  O  O42  1  0.0307  0.8048  0.9106  1
  O  O43  1  0.1145  0.3686  0.3532  1
  O  O44  1  0.1153  0.5115  0.8614  1
  O  O45  1  0.1351  0.4964  0.5759  1
  O  O46  1  0.1361  0.3693  0.0762  1
  O  O47  1  0.1536  0.5235  0.2535  1
  O  O48  1  0.1591  0.3160  0.7563  1
  O  O49  1  0.1614  0.5305  0.9723  1
  O  O50  1  0.1651  0.8058  0.4101  1
  O  O51  1  0.1656  0.3059  0.4736  1
  O  O52  1  0.1708  0.0213  0.9102  1
  O  O53  1  0.1741  0.0298  0.1942  1
  O  O54  1  0.1766  0.9936  0.5845  1
  O  O55  1  0.1820  0.7973  0.6934  1
  O  O56  1  0.1983  0.8291  0.0862  1
  O  O57  1  0.2002  0.9696  0.3046  1
  O  O58  1  0.2014  0.8244  0.8049  1
  O  O59  1  0.3025  0.1624  0.9723  1
  O  O60  1  0.3082  0.5329  0.4718  1
  O  O61  1  0.3152  0.1567  0.2562  1
  O  O62  1  0.3224  0.5219  0.7540  1
  O  O63  1  0.3639  0.1508  0.5770  1
  O  O64  1  0.3670  0.4957  0.0762  1
  O  O65  1  0.3692  0.1193  0.8613  1
  O  O66  1  0.3702  0.5120  0.3607  1
  O  O67  1  0.4724  0.8267  0.2428  1
  O  O68  1  0.4771  0.6812  0.0288  1
  O  O69  1  0.4775  0.6927  0.7440  1
  O  O70  1  0.4794  0.8373  0.5269  1
  O  O71  1  0.4907  0.6514  0.4265  1
  O  O72  1  0.4909  0.3745  0.5763  1
  O  O73  1  0.4919  0.1363  0.0769  1
  O  O74  1  0.4941  0.8602  0.9285  1
  O  O75  1  0.4963  0.6386  0.1382  1
  O  O76  1  0.5021  0.8607  0.6406  1
  O  O77  1  0.5123  0.1205  0.3605  1
  O  O78  1  0.5176  0.3707  0.8527  1
  O  O79  1  0.5243  0.3055  0.9719  1
  O  O80  1  0.5253  0.3181  0.2565  1
  O  O81  1  0.5292  0.1562  0.7565  1
  O  O82  1  0.5357  0.1618  0.4713  1
  O  O83  1  0.6376  0.4942  0.6410  1
  O  O84  1  0.6390  0.8636  0.1382  1
  O  O85  1  0.6487  0.8591  0.4265  1
  O  O86  1  0.6536  0.4984  0.9280  1
  O  O87  1  0.6798  0.8441  0.0286  1
  O  O88  1  0.6867  0.4766  0.5304  1
  O  O89  1  0.7033  0.4715  0.2430  1
  O  O90  1  0.7052  0.8248  0.7445  1
  O  O91  1  0.7963  0.1823  0.1926  1
  O  O92  1  0.7968  0.0296  0.6947  1
  O  O93  1  0.8091  0.0220  0.4098  1
  O  O94  1  0.8211  0.1570  0.9095  1
  O  O95  1  0.8239  0.2029  0.5877  1
  O  O96  1  0.8253  0.4713  0.7449  1
  O  O97  1  0.8257  0.9767  0.0865  1
  O  O98  1  0.8287  0.6952  0.2421  1
  O  O99  1  0.8310  0.9715  0.8053  1
  O  O100  1  0.8320  0.1994  0.3038  1
  O  O101  1  0.8402  0.4807  0.0302  1
  O  O102  1  0.8425  0.6813  0.5281  1
  O  O103  1  0.8472  0.4986  0.4272  1
  O  O104  1  0.8577  0.6543  0.9287  1
  O  O105  1  0.8675  0.4930  0.1401  1
  O  O106  1  0.8695  0.6298  0.6379  1
  O  O107  1  0.9678  0.8314  0.5868  1
  O  O108  1  0.9725  0.1990  0.0862  1
  O  O109  1  0.9726  0.8265  0.3042  1
  O  O110  1  0.9730  0.1939  0.8022  1
]