data_[Na24Mg3Ti9Si15S3O72]
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
  Ti  1.5400  1.4000  0.8517
  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 [9.0185]
_cell_length_b [9.0231]
_cell_length_c [22.0783]
_cell_angle_alpha [89.9542]
_cell_angle_beta [89.2979]
_cell_angle_gamma [60.0235]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na8MgTi3Si5SO24]
_chemical_formula_sum '[Na24 Mg3 Ti9 Si15 S3 O72]'
_cell_volume [1556.1434]
_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  0.0076  0.3712  0.2514  1
  Na  Na1  1  0.0140  0.6298  0.7523  1
  Na  Na2  1  0.0312  0.2937  0.5821  1
  Na  Na3  1  0.0354  0.6667  0.0843  1
  Na  Na4  1  0.2887  0.6737  0.5864  1
  Na  Na5  1  0.2977  0.0358  0.0841  1
  Na  Na6  1  0.3314  0.3456  0.6660  1
  Na  Na7  1  0.3328  0.3334  0.1702  1
  Na  Na8  1  0.3344  0.9752  0.4129  1
  Na  Na9  1  0.3449  0.6870  0.9183  1
  Na  Na10  1  0.3643  0.9990  0.7556  1
  Na  Na11  1  0.3682  0.6253  0.2480  1
  Na  Na12  1  0.6202  0.3730  0.7553  1
  Na  Na13  1  0.6220  0.0085  0.2517  1
  Na  Na14  1  0.6629  0.6667  0.8389  1
  Na  Na15  1  0.6671  0.2972  0.0842  1
  Na  Na16  1  0.6715  0.6685  0.3296  1
  Na  Na17  1  0.6756  0.0346  0.5821  1
  Na  Na18  1  0.6936  0.9689  0.9192  1
  Na  Na19  1  0.7053  0.3275  0.4170  1
  Na  Na20  1  0.9663  0.6963  0.4115  1
  Na  Na21  1  0.9666  0.3398  0.9189  1
  Na  Na22  1  0.9962  0.0042  0.5025  1
  Na  Na23  1  0.9983  0.0017  0.0049  1
  Mg  Mg24  1  0.0049  0.9920  0.6443  1
  Mg  Mg25  1  0.3296  0.3255  0.3114  1
  Mg  Mg26  1  0.3340  0.3416  0.8212  1
  Ti  Ti27  1  0.0010  0.9986  0.1486  1
  Ti  Ti28  1  0.0206  0.9854  0.8611  1
  Ti  Ti29  1  0.3350  0.3330  0.0189  1
  Ti  Ti30  1  0.3368  0.3153  0.5209  1
  Ti  Ti31  1  0.6523  0.6690  0.6794  1
  Ti  Ti32  1  0.6665  0.6683  0.1857  1
  Ti  Ti33  1  0.6675  0.6657  0.9832  1
  Ti  Ti34  1  0.6802  0.6662  0.4835  1
  Ti  Ti35  1  0.9891  0.0119  0.3476  1
  Si  Si36  1  0.0404  0.6199  0.9158  1
  Si  Si37  1  0.0406  0.3330  0.4158  1
  Si  Si38  1  0.2904  0.9975  0.2490  1
  Si  Si39  1  0.2944  0.7034  0.7475  1
  Si  Si40  1  0.3401  0.0423  0.9148  1
  Si  Si41  1  0.3753  0.9561  0.5813  1
  Si  Si42  1  0.3767  0.6658  0.0840  1
  Si  Si43  1  0.6275  0.0381  0.4151  1
  Si  Si44  1  0.6280  0.3335  0.9147  1
  Si  Si45  1  0.6633  0.3749  0.5812  1
  Si  Si46  1  0.6660  0.9579  0.0833  1
  Si  Si47  1  0.7062  0.2957  0.2480  1
  Si  Si48  1  0.9575  0.3762  0.0832  1
  Si  Si49  1  0.9599  0.6645  0.5851  1
  Si  Si50  1  0.9991  0.7104  0.2496  1
  S  S51  1  0.3343  0.6227  0.4172  1
  S  S52  1  0.7093  0.9989  0.7499  1
  S  S53  1  0.9991  0.2919  0.7497  1
  O  O54  1  0.0194  0.1885  0.6946  1
  O  O55  1  0.0208  0.8158  0.9098  1
  O  O56  1  0.0254  0.8077  0.1905  1
  O  O57  1  0.0262  0.1571  0.4139  1
  O  O58  1  0.1102  0.5109  0.8547  1
  O  O59  1  0.1153  0.3821  0.3583  1
  O  O60  1  0.1467  0.3602  0.0767  1
  O  O61  1  0.1471  0.4912  0.5772  1
  O  O62  1  0.1545  0.3077  0.7530  1
  O  O63  1  0.1612  0.0259  0.9112  1
  O  O64  1  0.1660  0.0241  0.1908  1
  O  O65  1  0.1673  0.3033  0.4760  1
  O  O66  1  0.1682  0.5366  0.9743  1
  O  O67  1  0.1700  0.5273  0.2532  1
  O  O68  1  0.1758  0.7949  0.6904  1
  O  O69  1  0.1783  0.7966  0.4143  1
  O  O70  1  0.1867  0.9831  0.5867  1
  O  O71  1  0.1869  0.8377  0.0878  1
  O  O72  1  0.1968  0.9651  0.3096  1
  O  O73  1  0.1972  0.8338  0.8082  1
  O  O74  1  0.2979  0.1693  0.9742  1
  O  O75  1  0.3064  0.1665  0.2508  1
  O  O76  1  0.3074  0.5424  0.4725  1
  O  O77  1  0.3201  0.5121  0.7524  1
  O  O78  1  0.3594  0.4937  0.0772  1
  O  O79  1  0.3628  0.5187  0.3629  1
  O  O80  1  0.3667  0.1439  0.5788  1
  O  O81  1  0.3716  0.1175  0.8535  1
  O  O82  1  0.4673  0.6991  0.0244  1
  O  O83  1  0.4722  0.8310  0.5238  1
  O  O84  1  0.4775  0.8211  0.2450  1
  O  O85  1  0.4861  0.3672  0.5770  1
  O  O86  1  0.4884  0.6928  0.7454  1
  O  O87  1  0.4886  0.6436  0.4226  1
  O  O88  1  0.4929  0.1468  0.0772  1
  O  O89  1  0.5014  0.8485  0.9233  1
  O  O90  1  0.5018  0.8682  0.6412  1
  O  O91  1  0.5018  0.6315  0.1422  1
  O  O92  1  0.5074  0.1198  0.3581  1
  O  O93  1  0.5156  0.3735  0.8551  1
  O  O94  1  0.5213  0.3134  0.2547  1
  O  O95  1  0.5329  0.1650  0.4762  1
  O  O96  1  0.5343  0.1489  0.7539  1
  O  O97  1  0.5375  0.2950  0.9742  1
  O  O98  1  0.6286  0.5037  0.6414  1
  O  O99  1  0.6315  0.8665  0.1423  1
  O  O100  1  0.6474  0.8461  0.4249  1
  O  O101  1  0.6531  0.5003  0.9244  1
  O  O102  1  0.6937  0.4717  0.5241  1
  O  O103  1  0.6973  0.8383  0.7457  1
  O  O104  1  0.6979  0.8341  0.0243  1
  O  O105  1  0.6991  0.4804  0.2449  1
  O  O106  1  0.7889  0.0262  0.6947  1
  O  O107  1  0.8043  0.1673  0.1904  1
  O  O108  1  0.8149  0.9755  0.8040  1
  O  O109  1  0.8208  0.1589  0.9072  1
  O  O110  1  0.8209  0.0174  0.4139  1
  O  O111  1  0.8225  0.7003  0.2450  1
  O  O112  1  0.8315  0.1912  0.5897  1
  O  O113  1  0.8333  0.2031  0.3082  1
  O  O114  1  0.8341  0.4675  0.0245  1
  O  O115  1  0.8363  0.6924  0.5263  1
  O  O116  1  0.8377  0.9752  0.0875  1
  O  O117  1  0.8423  0.4672  0.7466  1
  O  O118  1  0.8445  0.5005  0.4253  1
  O  O119  1  0.8459  0.6523  0.9244  1
  O  O120  1  0.8642  0.6300  0.6440  1
  O  O121  1  0.8655  0.5027  0.1420  1
  O  O122  1  0.9649  0.8383  0.3096  1
  O  O123  1  0.9705  0.8367  0.5864  1
  O  O124  1  0.9710  0.2118  0.8045  1
  O  O125  1  0.9760  0.1868  0.0876  1
]