data_[Na9Mg5Ta7Si9S9O72]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8633]
_cell_length_b [8.8804]
_cell_length_c [22.7077]
_cell_angle_alpha [89.9676]
_cell_angle_beta [89.8346]
_cell_angle_gamma [60.1246]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na9Mg5Ta7Si9(SO8)9]
_chemical_formula_sum '[Na9 Mg5 Ta7 Si9 S9 O72]'
_cell_volume [1549.7912]
_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  0.3011  0.6723  0.5915  1
  Na  Na1  1  0.3369  0.3363  0.6771  1
  Na  Na2  1  0.3377  0.3384  0.1707  1
  Na  Na3  1  0.6276  0.0212  0.2525  1
  Na  Na4  1  0.6473  0.6806  0.3437  1
  Na  Na5  1  0.6475  0.6707  0.8369  1
  Na  Na6  1  0.6773  0.3503  0.4182  1
  Na  Na7  1  0.9840  0.0173  0.0095  1
  Na  Na8  1  0.9866  0.0089  0.5058  1
  Mg  Mg9  1  0.3471  0.3328  0.3156  1
  Mg  Mg10  1  0.3482  0.3337  0.8147  1
  Mg  Mg11  1  0.6633  0.6677  0.4799  1
  Mg  Mg12  1  0.9828  0.0184  0.1425  1
  Mg  Mg13  1  0.9933  0.0032  0.6497  1
  Ta  Ta14  1  0.0081  0.9997  0.8563  1
  Ta  Ta15  1  0.3466  0.3377  0.5176  1
  Ta  Ta16  1  0.3478  0.3069  0.0221  1
  Ta  Ta17  1  0.6569  0.6614  0.6891  1
  Ta  Ta18  1  0.6710  0.6644  0.9789  1
  Ta  Ta19  1  0.6773  0.6554  0.1858  1
  Ta  Ta20  1  0.9933  0.0061  0.3554  1
  Si  Si21  1  0.2773  0.7043  0.7451  1
  Si  Si22  1  0.3337  0.6313  0.4134  1
  Si  Si23  1  0.3406  0.0436  0.9123  1
  Si  Si24  1  0.6193  0.3349  0.9141  1
  Si  Si25  1  0.6227  0.0293  0.4117  1
  Si  Si26  1  0.6785  0.9482  0.0852  1
  Si  Si27  1  0.6824  0.3635  0.5795  1
  Si  Si28  1  0.7018  0.2941  0.2480  1
  Si  Si29  1  0.9671  0.3707  0.0809  1
  S  S30  1  0.0015  0.2890  0.7492  1
  S  S31  1  0.0036  0.7097  0.2488  1
  S  S32  1  0.0465  0.6215  0.9157  1
  S  S33  1  0.0504  0.3321  0.4151  1
  S  S34  1  0.2859  1.0000  0.2481  1
  S  S35  1  0.3780  0.9593  0.5834  1
  S  S36  1  0.3795  0.6655  0.0833  1
  S  S37  1  0.7113  0.9975  0.7486  1
  S  S38  1  0.9546  0.6634  0.5824  1
  O  O39  1  0.0174  0.1886  0.6967  1
  O  O40  1  0.0210  0.8032  0.9094  1
  O  O41  1  0.0306  0.7859  0.1964  1
  O  O42  1  0.0357  0.1664  0.4117  1
  O  O43  1  0.1163  0.5205  0.8625  1
  O  O44  1  0.1317  0.4966  0.5792  1
  O  O45  1  0.1322  0.3491  0.3624  1
  O  O46  1  0.1410  0.5326  0.2589  1
  O  O47  1  0.1459  0.3828  0.0747  1
  O  O48  1  0.1487  0.3145  0.7573  1
  O  O49  1  0.1499  0.5473  0.9694  1
  O  O50  1  0.1561  0.8242  0.4077  1
  O  O51  1  0.1578  0.3041  0.4698  1
  O  O52  1  0.1631  0.0205  0.9077  1
  O  O53  1  0.1799  0.8377  0.8030  1
  O  O54  1  0.1870  0.7965  0.6848  1
  O  O55  1  0.1891  0.0090  0.1958  1
  O  O56  1  0.2039  0.9729  0.3030  1
  O  O57  1  0.2059  0.9754  0.5910  1
  O  O58  1  0.2123  0.8192  0.0914  1
  O  O59  1  0.2974  0.5395  0.4766  1
  O  O60  1  0.3033  0.1630  0.9737  1
  O  O61  1  0.3044  0.1548  0.2547  1
  O  O62  1  0.3101  0.5129  0.7528  1
  O  O63  1  0.3592  0.1361  0.5788  1
  O  O64  1  0.3597  0.5044  0.3614  1
  O  O65  1  0.3629  0.1298  0.8554  1
  O  O66  1  0.3677  0.5054  0.0780  1
  O  O67  1  0.4621  0.8512  0.5322  1
  O  O68  1  0.4644  0.6862  0.0297  1
  O  O69  1  0.4686  0.8413  0.2460  1
  O  O70  1  0.4799  0.6964  0.7416  1
  O  O71  1  0.4859  0.3648  0.5777  1
  O  O72  1  0.4904  0.8765  0.6382  1
  O  O73  1  0.4955  0.6353  0.1365  1
  O  O74  1  0.4962  0.1422  0.0782  1
  O  O75  1  0.5019  0.8475  0.9260  1
  O  O76  1  0.5044  0.6442  0.4238  1
  O  O77  1  0.5064  0.3811  0.8571  1
  O  O78  1  0.5103  0.3171  0.2524  1
  O  O79  1  0.5187  0.1119  0.3528  1
  O  O80  1  0.5245  0.1732  0.4701  1
  O  O81  1  0.5251  0.3091  0.9741  1
  O  O82  1  0.5342  0.1421  0.7540  1
  O  O83  1  0.6365  0.8655  0.1449  1
  O  O84  1  0.6399  0.5044  0.6382  1
  O  O85  1  0.6580  0.4949  0.9288  1
  O  O86  1  0.6689  0.8381  0.4261  1
  O  O87  1  0.6743  0.8357  0.0288  1
  O  O88  1  0.6874  0.4906  0.2432  1
  O  O89  1  0.6899  0.4593  0.5219  1
  O  O90  1  0.7031  0.8291  0.7422  1
  O  O91  1  0.7938  0.0193  0.6962  1
  O  O92  1  0.8028  0.1624  0.1963  1
  O  O93  1  0.8115  0.0385  0.4089  1
  O  O94  1  0.8140  0.1562  0.9064  1
  O  O95  1  0.8178  0.9718  0.8025  1
  O  O96  1  0.8285  0.7104  0.2454  1
  O  O97  1  0.8287  0.2019  0.3093  1
  O  O98  1  0.8362  0.4707  0.7432  1
  O  O99  1  0.8373  0.4800  0.0266  1
  O  O100  1  0.8386  0.1732  0.5907  1
  O  O101  1  0.8511  0.9573  0.0853  1
  O  O102  1  0.8520  0.6843  0.5304  1
  O  O103  1  0.8606  0.4992  0.1396  1
  O  O104  1  0.8640  0.6505  0.9236  1
  O  O105  1  0.8685  0.6460  0.6372  1
  O  O106  1  0.8736  0.4766  0.4225  1
  O  O107  1  0.9641  0.2128  0.8034  1
  O  O108  1  0.9717  0.8264  0.3026  1
  O  O109  1  0.9899  0.8088  0.5878  1
  O  O110  1  0.9967  0.1812  0.0853  1
]