data_[Na6Mg12Ti12Si3S33O144]
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 [8.6425]
_cell_length_b [14.9572]
_cell_length_c [22.4572]
_cell_angle_alpha [89.9590]
_cell_angle_beta [89.9448]
_cell_angle_gamma [89.9565]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Mg4Ti4SiS11O48]
_chemical_formula_sum '[Na6 Mg12 Ti12 Si3 S33 O144]'
_cell_volume [2902.9717]
_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  0.4978  0.5015  0.0005  1
  Na  Na1  1  0.5002  0.1618  0.3388  1
  Na  Na2  1  0.5007  0.1618  0.8324  1
  Na  Na3  1  0.9928  0.0030  0.4942  1
  Na  Na4  1  0.9968  0.6676  0.8362  1
  Na  Na5  1  0.9977  0.6642  0.3307  1
  Mg  Mg6  1  0.0011  0.3326  0.5217  1
  Mg  Mg7  1  0.0012  0.6677  0.6853  1
  Mg  Mg8  1  0.0014  0.6646  0.4813  1
  Mg  Mg9  1  0.4992  0.1664  0.1852  1
  Mg  Mg10  1  0.4994  0.8362  0.8090  1
  Mg  Mg11  1  0.4997  0.1651  0.9814  1
  Mg  Mg12  1  0.5002  0.1656  0.4795  1
  Mg  Mg13  1  0.5007  0.1647  0.6838  1
  Mg  Mg14  1  0.9968  0.0002  0.3561  1
  Mg  Mg15  1  0.9972  0.6656  0.9801  1
  Mg  Mg16  1  0.9981  0.6649  0.1862  1
  Mg  Mg17  1  1.0000  0.9983  0.8566  1
  Ti  Ti18  1  0.0013  0.9999  0.1452  1
  Ti  Ti19  1  0.5008  0.4994  0.6387  1
  Ti  Ti20  1  0.5030  0.8431  0.3127  1
  Ti  Ti21  1  0.5036  0.8376  0.0186  1
  Ti  Ti22  1  0.5074  0.8407  0.5207  1
  Ti  Ti23  1  0.5099  0.5006  0.1514  1
  Ti  Ti24  1  0.5106  0.5036  0.8551  1
  Ti  Ti25  1  0.5117  0.5022  0.3565  1
  Ti  Ti26  1  0.9886  0.3376  0.0212  1
  Ti  Ti27  1  0.9949  0.0012  0.6499  1
  Ti  Ti28  1  0.9951  0.3369  0.8114  1
  Ti  Ti29  1  0.9987  0.3341  0.3104  1
  Si  Si30  1  0.6510  0.9846  0.4172  1
  Si  Si31  1  0.7962  0.5024  0.2521  1
  Si  Si32  1  0.8598  0.4807  0.9156  1
  S  S33  1  0.1422  0.8546  0.7509  1
  S  S34  1  0.1438  0.1907  0.4168  1
  S  S35  1  0.1449  0.4777  0.4154  1
  S  S36  1  0.1463  0.1446  0.7519  1
  S  S37  1  0.1473  0.8118  0.0834  1
  S  S38  1  0.1487  0.5204  0.0827  1
  S  S39  1  0.2078  0.1673  0.0837  1
  S  S40  1  0.2150  0.4997  0.7505  1
  S  S41  1  0.2151  0.8313  0.4166  1
  S  S42  1  0.2866  0.3328  0.9156  1
  S  S43  1  0.2868  0.0010  0.2507  1
  S  S44  1  0.2907  0.6683  0.5833  1
  S  S45  1  0.3496  0.0207  0.5837  1
  S  S46  1  0.3536  0.3101  0.5841  1
  S  S47  1  0.3552  0.6910  0.9156  1
  S  S48  1  0.3567  0.9788  0.9155  1
  S  S49  1  0.3576  0.3557  0.2514  1
  S  S50  1  0.3576  0.6447  0.2518  1
  S  S51  1  0.6416  0.3562  0.7501  1
  S  S52  1  0.6422  0.3122  0.0831  1
  S  S53  1  0.6436  0.6436  0.7485  1
  S  S54  1  0.6438  0.6910  0.4160  1
  S  S55  1  0.6473  0.0211  0.0837  1
  S  S56  1  0.7052  0.6675  0.0826  1
  S  S57  1  0.7098  0.0017  0.7518  1
  S  S58  1  0.7120  0.3337  0.4162  1
  S  S59  1  0.7881  0.8336  0.9153  1
  S  S60  1  0.7923  0.1667  0.5845  1
  S  S61  1  0.8546  0.1435  0.2504  1
  S  S62  1  0.8553  0.8124  0.5834  1
  S  S63  1  0.8572  0.1901  0.9165  1
  S  S64  1  0.8577  0.8564  0.2505  1
  S  S65  1  0.8584  0.5212  0.5842  1
  O  O66  1  0.0701  0.2338  0.7587  1
  O  O67  1  0.0715  0.7659  0.7421  1
  O  O68  1  0.0717  0.8955  0.8036  1
  O  O69  1  0.0720  0.7760  0.0306  1
  O  O70  1  0.0737  0.4333  0.3614  1
  O  O71  1  0.0742  0.5673  0.4193  1
  O  O72  1  0.0743  0.2309  0.4697  1
  O  O73  1  0.0754  0.1028  0.6970  1
  O  O74  1  0.0769  0.5569  0.1361  1
  O  O75  1  0.0781  0.1009  0.4090  1
  O  O76  1  0.0797  0.9043  0.0952  1
  O  O77  1  0.0802  0.4281  0.0726  1
  O  O78  1  0.1034  0.2448  0.0729  1
  O  O79  1  0.1049  0.0866  0.0952  1
  O  O80  1  0.1058  0.9129  0.6962  1
  O  O81  1  0.1061  0.2465  0.3619  1
  O  O82  1  0.1137  0.5777  0.7454  1
  O  O83  1  0.1173  0.7512  0.4218  1
  O  O84  1  0.1198  0.0891  0.8043  1
  O  O85  1  0.1202  0.4166  0.7587  1
  O  O86  1  0.1222  0.4248  0.4688  1
  O  O87  1  0.1254  0.9135  0.4110  1
  O  O88  1  0.1262  0.5751  0.0294  1
  O  O89  1  0.1272  0.7572  0.1366  1
  O  O90  1  0.1778  0.0079  0.5924  1
  O  O91  1  0.1876  0.3480  0.2587  1
  O  O92  1  0.1881  0.9874  0.1961  1
  O  O93  1  0.1889  0.9841  0.9125  1
  O  O94  1  0.1892  0.6797  0.9240  1
  O  O95  1  0.1897  0.3269  0.5764  1
  O  O96  1  0.1906  0.3193  0.8614  1
  O  O97  1  0.1913  0.3469  0.9697  1
  O  O98  1  0.1913  0.6541  0.2438  1
  O  O99  1  0.1929  0.0137  0.3035  1
  O  O100  1  0.1989  0.6474  0.5306  1
  O  O101  1  0.1989  0.6830  0.6368  1
  O  O102  1  0.3004  0.1475  0.0308  1
  O  O103  1  0.3005  0.1841  0.1368  1
  O  O104  1  0.3103  0.8490  0.7544  1
  O  O105  1  0.3113  0.4859  0.6969  1
  O  O106  1  0.3134  0.1565  0.7429  1
  O  O107  1  0.3135  0.8407  0.4709  1
  O  O108  1  0.3135  0.1880  0.4199  1
  O  O109  1  0.3135  0.8175  0.3617  1
  O  O110  1  0.3135  0.5118  0.8045  1
  O  O111  1  0.3140  0.4866  0.4037  1
  O  O112  1  0.3169  0.8255  0.0722  1
  O  O113  1  0.3195  0.5067  0.0905  1
  O  O114  1  0.3702  0.0754  0.5306  1
  O  O115  1  0.3813  0.9164  0.2557  1
  O  O116  1  0.3815  0.4117  0.1963  1
  O  O117  1  0.3821  0.4159  0.9087  1
  O  O118  1  0.3822  0.2574  0.6378  1
  O  O119  1  0.3841  0.5865  0.3045  1
  O  O120  1  0.3862  0.7424  0.8620  1
  O  O121  1  0.3871  0.2543  0.9216  1
  O  O122  1  0.3900  0.0777  0.2422  1
  O  O123  1  0.3930  0.9209  0.9708  1
  O  O124  1  0.3938  0.5862  0.5940  1
  O  O125  1  0.3960  0.7444  0.5737  1
  O  O126  1  0.4160  0.9282  0.5744  1
  O  O127  1  0.4209  0.0567  0.6372  1
  O  O128  1  0.4253  0.3993  0.3041  1
  O  O129  1  0.4262  0.5999  0.1970  1
  O  O130  1  0.4274  0.2674  0.2441  1
  O  O131  1  0.4279  0.9373  0.8635  1
  O  O132  1  0.4281  0.7297  0.9702  1
  O  O133  1  0.4286  0.4035  0.5955  1
  O  O134  1  0.4287  0.0672  0.9247  1
  O  O135  1  0.4292  0.5982  0.9101  1
  O  O136  1  0.4321  0.2757  0.5313  1
  O  O137  1  0.4356  0.7310  0.2585  1
  O  O138  1  0.5574  0.0752  0.4186  1
  O  O139  1  0.5671  0.6013  0.4084  1
  O  O140  1  0.5699  0.7292  0.7575  1
  O  O141  1  0.5710  0.9261  0.3593  1
  O  O142  1  0.5729  0.2674  0.7459  1
  O  O143  1  0.5737  0.4003  0.8042  1
  O  O144  1  0.5740  0.7293  0.4703  1
  O  O145  1  0.5741  0.0579  0.1366  1
  O  O146  1  0.5744  0.4050  0.0892  1
  O  O147  1  0.5750  0.5980  0.6965  1
  O  O148  1  0.5753  0.2737  0.0292  1
  O  O149  1  0.5804  0.9293  0.0734  1
  O  O150  1  0.5983  0.5870  0.0912  1
  O  O151  1  0.6003  0.9156  0.4736  1
  O  O152  1  0.6013  0.7463  0.0723  1
  O  O153  1  0.6101  0.4152  0.4061  1
  O  O154  1  0.6108  0.2561  0.4202  1
  O  O155  1  0.6111  0.5849  0.8040  1
  O  O156  1  0.6121  0.0814  0.7428  1
  O  O157  1  0.6126  0.7448  0.3617  1
  O  O158  1  0.6169  0.4120  0.6969  1
  O  O159  1  0.6181  0.2598  0.1366  1
  O  O160  1  0.6194  0.9199  0.7542  1
  O  O161  1  0.6293  0.0758  0.0303  1
  O  O162  1  0.6684  0.4834  0.9067  1
  O  O163  1  0.6714  0.5112  0.3076  1
  O  O164  1  0.6786  0.4848  0.1938  1
  O  O165  1  0.6814  0.5119  0.5951  1
  O  O166  1  0.6815  0.8436  0.9706  1
  O  O167  1  0.6832  0.8218  0.5751  1
  O  O168  1  0.6850  0.8479  0.2565  1
  O  O169  1  0.6877  0.1851  0.9219  1
  O  O170  1  0.6879  0.1562  0.2412  1
  O  O171  1  0.6901  0.8179  0.8634  1
  O  O172  1  0.6989  0.1787  0.6383  1
  O  O173  1  0.7003  0.1455  0.5315  1
  O  O174  1  0.7956  0.6832  0.1360  1
  O  O175  1  0.7972  0.6480  0.0296  1
  O  O176  1  0.8029  0.3519  0.4690  1
  O  O177  1  0.8078  0.0166  0.8037  1
  O  O178  1  0.8113  0.6789  0.4214  1
  O  O179  1  0.8114  0.3211  0.3621  1
  O  O180  1  0.8125  0.6487  0.7452  1
  O  O181  1  0.8129  0.3477  0.7582  1
  O  O182  1  0.8145  0.9913  0.6967  1
  O  O183  1  0.8151  0.3224  0.0758  1
  O  O184  1  0.8179  0.0079  0.0942  1
  O  O185  1  0.8337  0.9807  0.4158  1
  O  O186  1  0.8704  0.5779  0.5312  1
  O  O187  1  0.8768  0.9161  0.9126  1
  O  O188  1  0.8786  0.7593  0.6370  1
  O  O189  1  0.8798  0.0884  0.3028  1
  O  O190  1  0.8841  0.9142  0.1960  1
  O  O191  1  0.8862  0.7554  0.9254  1
  O  O192  1  0.8881  0.4147  0.9738  1
  O  O193  1  0.8897  0.2475  0.8625  1
  O  O194  1  0.8915  0.4095  0.2636  1
  O  O195  1  0.8954  0.2425  0.5763  1
  O  O196  1  0.8966  0.0832  0.5944  1
  O  O197  1  0.8986  0.5886  0.2473  1
  O  O198  1  0.9175  0.4314  0.5760  1
  O  O199  1  0.9209  0.9054  0.5913  1
  O  O200  1  0.9236  0.5622  0.6376  1
  O  O201  1  0.9251  0.8972  0.3031  1
  O  O202  1  0.9256  0.7682  0.2410  1
  O  O203  1  0.9257  0.2333  0.9709  1
  O  O204  1  0.9257  0.1009  0.1956  1
  O  O205  1  0.9263  0.7751  0.5298  1
  O  O206  1  0.9292  0.4245  0.8581  1
  O  O207  1  0.9293  0.1033  0.9095  1
  O  O208  1  0.9322  0.2322  0.2567  1
  O  O209  1  0.9330  0.5764  0.9188  1
]