# generated using pymatgen
data_TlSi216
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.40618400
_cell_length_b   16.40618400
_cell_length_c   16.40618400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi216
_chemical_formula_sum   'Tl1 Si216'
_cell_volume   4415.93562766
_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
  Tl  Tl1  1  0.166480  0.166853  0.166417  1
  Si  Si2  1  0.258464  0.258712  0.074561  1
  Si  Si3  1  0.251238  0.251563  0.418834  1
  Si  Si4  1  0.250007  0.250301  0.749362  1
  Si  Si5  1  0.250010  0.583915  0.082960  1
  Si  Si6  1  0.249968  0.583968  0.416981  1
  Si  Si7  1  0.249878  0.584126  0.749138  1
  Si  Si8  1  0.251241  0.914439  0.081702  1
  Si  Si9  1  0.249561  0.914432  0.418838  1
  Si  Si10  1  0.249976  0.916288  0.749297  1
  Si  Si11  1  0.583598  0.250315  0.082954  1
  Si  Si12  1  0.583615  0.250294  0.417022  1
  Si  Si13  1  0.583841  0.250166  0.749100  1
  Si  Si14  1  0.583838  0.584167  0.083103  1
  Si  Si15  1  0.583188  0.583587  0.416565  1
  Si  Si16  1  0.583201  0.583537  0.749706  1
  Si  Si17  1  0.583610  0.916246  0.082971  1
  Si  Si18  1  0.583467  0.916638  0.416569  1
  Si  Si19  1  0.583192  0.916681  0.749676  1
  Si  Si20  1  0.914115  0.251543  0.081718  1
  Si  Si21  1  0.914057  0.249877  0.418918  1
  Si  Si22  1  0.915959  0.250252  0.749367  1
  Si  Si23  1  0.915955  0.583902  0.083015  1
  Si  Si24  1  0.916295  0.583792  0.416704  1
  Si  Si25  1  0.916384  0.583545  0.749715  1
  Si  Si26  1  0.914064  0.914357  0.083400  1
  Si  Si27  1  0.916173  0.916578  0.416682  1
  Si  Si28  1  0.916312  0.916562  0.749479  1
  Si  Si29  1  0.992540  0.992767  0.992479  1
  Si  Si30  1  0.999537  0.999896  0.333379  1
  Si  Si31  1  0.999659  0.999938  0.666355  1
  Si  Si32  1  0.999543  0.333788  0.999496  1
  Si  Si33  1  0.992544  0.340788  0.340509  1
  Si  Si34  1  0.999668  0.333659  0.666599  1
  Si  Si35  1  0.999669  0.666681  0.999621  1
  Si  Si36  1  0.999653  0.666913  0.333333  1
  Si  Si37  1  0.999626  0.666848  0.666410  1
  Si  Si38  1  0.333435  0.999891  0.999469  1
  Si  Si39  1  0.340459  0.992869  0.340381  1
  Si  Si40  1  0.333324  0.000012  0.666460  1
  Si  Si41  1  0.340565  0.340792  0.992478  1
  Si  Si42  1  0.333426  0.333793  0.333379  1
  Si  Si43  1  0.333394  0.333671  0.666358  1
  Si  Si44  1  0.333395  0.666911  0.999591  1
  Si  Si45  1  0.333307  0.666781  0.333242  1
  Si  Si46  1  0.333375  0.666812  0.666450  1
  Si  Si47  1  0.666415  0.999946  0.999601  1
  Si  Si48  1  0.666552  0.000026  0.333245  1
  Si  Si49  1  0.666519  0.999953  0.666452  1
  Si  Si50  1  0.666652  0.333657  0.999620  1
  Si  Si51  1  0.666415  0.333678  0.333331  1
  Si  Si52  1  0.666476  0.333701  0.666411  1
  Si  Si53  1  0.666479  0.666848  0.999557  1
  Si  Si54  1  0.666508  0.666818  0.333300  1
  Si  Si55  1  0.666452  0.666875  0.666395  1
  Si  Si56  1  0.258354  0.074973  0.258288  1
  Si  Si57  1  0.249915  0.083418  0.583529  1
  Si  Si58  1  0.251221  0.082113  0.914022  1
  Si  Si59  1  0.251220  0.419245  0.251157  1
  Si  Si60  1  0.249990  0.417402  0.583569  1
  Si  Si61  1  0.249652  0.419251  0.914020  1
  Si  Si62  1  0.249922  0.749749  0.249859  1
  Si  Si63  1  0.249881  0.749496  0.583765  1
  Si  Si64  1  0.249992  0.749711  0.915872  1
  Si  Si65  1  0.583588  0.083404  0.249856  1
  Si  Si66  1  0.583833  0.083448  0.583764  1
  Si  Si67  1  0.583623  0.083336  0.915868  1
  Si  Si68  1  0.583616  0.417400  0.249934  1
  Si  Si69  1  0.583167  0.416972  0.583106  1
  Si  Si70  1  0.583539  0.417042  0.916229  1
  Si  Si71  1  0.583820  0.749505  0.249810  1
  Si  Si72  1  0.583131  0.750198  0.583049  1
  Si  Si73  1  0.583170  0.750166  0.916292  1
  Si  Si74  1  0.914088  0.082105  0.251162  1
  Si  Si75  1  0.915929  0.083340  0.583569  1
  Si  Si76  1  0.914086  0.083683  0.914017  1
  Si  Si77  1  0.914086  0.419243  0.249596  1
  Si  Si78  1  0.916288  0.417043  0.583472  1
  Si  Si79  1  0.916227  0.417103  0.916158  1
  Si  Si80  1  0.915926  0.749711  0.249937  1
  Si  Si81  1  0.916358  0.750167  0.583104  1
  Si  Si82  1  0.916289  0.749797  0.916230  1
  Si  Si83  1  0.992864  0.166824  0.166449  1
  Si  Si84  1  0.999146  0.167001  0.500867  1
  Si  Si85  1  0.999157  0.166599  0.832071  1
  Si  Si86  1  0.999153  0.501203  0.166685  1
  Si  Si87  1  0.999441  0.501512  0.501189  1
  Si  Si88  1  0.999808  0.500281  0.832997  1
  Si  Si89  1  0.999145  0.832413  0.166284  1
  Si  Si90  1  0.999757  0.833410  0.499854  1
  Si  Si91  1  0.999450  0.832075  0.831760  1
  Si  Si92  1  0.340164  0.166812  0.166454  1
  Si  Si93  1  0.333853  0.166651  0.500852  1
  Si  Si94  1  0.333879  0.167018  0.832037  1
  Si  Si95  1  0.333871  0.501236  0.166244  1
  Si  Si96  1  0.333226  0.500320  0.499893  1
  Si  Si97  1  0.333639  0.501513  0.831742  1
  Si  Si98  1  0.333851  0.832417  0.166614  1
  Si  Si99  1  0.333554  0.832134  0.501089  1
  Si  Si100  1  0.333233  0.833369  0.832937  1
  Si  Si101  1  0.666530  0.166847  0.166427  1
  Si  Si102  1  0.666502  0.166816  0.500286  1
  Si  Si103  1  0.666514  0.166818  0.832609  1
  Si  Si104  1  0.666510  0.500660  0.166450  1
  Si  Si105  1  0.666367  0.500306  0.499900  1
  Si  Si106  1  0.666646  0.500301  0.832954  1
  Si  Si107  1  0.666493  0.832985  0.166452  1
  Si  Si108  1  0.666581  0.833415  0.499843  1
  Si  Si109  1  0.666386  0.833362  0.832958  1
  Si  Si110  1  0.074631  0.258707  0.258409  1
  Si  Si111  1  0.083009  0.250319  0.583558  1
  Si  Si112  1  0.081785  0.251554  0.914066  1
  Si  Si113  1  0.083026  0.583918  0.249952  1
  Si  Si114  1  0.083159  0.584152  0.583778  1
  Si  Si115  1  0.083072  0.583919  0.915897  1
  Si  Si116  1  0.081770  0.914445  0.251185  1
  Si  Si117  1  0.083040  0.916242  0.583543  1
  Si  Si118  1  0.083453  0.914350  0.913999  1
  Si  Si119  1  0.418888  0.251566  0.251190  1
  Si  Si120  1  0.417083  0.250291  0.583546  1
  Si  Si121  1  0.418980  0.249877  0.913998  1
  Si  Si122  1  0.417040  0.583966  0.249902  1
  Si  Si123  1  0.416637  0.583577  0.583117  1
  Si  Si124  1  0.416763  0.583792  0.916241  1
  Si  Si125  1  0.418900  0.914426  0.249492  1
  Si  Si126  1  0.416683  0.916629  0.583293  1
  Si  Si127  1  0.416752  0.916577  0.916121  1
  Si  Si128  1  0.749413  0.250306  0.249954  1
  Si  Si129  1  0.749175  0.250172  0.583776  1
  Si  Si130  1  0.749413  0.250253  0.915896  1
  Si  Si131  1  0.749196  0.584124  0.249820  1
  Si  Si132  1  0.749774  0.583554  0.583124  1
  Si  Si133  1  0.749781  0.583542  0.916311  1
  Si  Si134  1  0.749362  0.916284  0.249906  1
  Si  Si135  1  0.749744  0.916681  0.583125  1
  Si  Si136  1  0.749533  0.916571  0.916252  1
  Si  Si137  1  0.166514  0.993170  0.166448  1
  Si  Si138  1  0.166682  0.999475  0.500858  1
  Si  Si139  1  0.166312  0.999453  0.832038  1
  Si  Si140  1  0.166509  0.340463  0.166450  1
  Si  Si141  1  0.166334  0.334177  0.500871  1
  Si  Si142  1  0.166739  0.334184  0.832071  1
  Si  Si143  1  0.166485  0.666803  0.166425  1
  Si  Si144  1  0.166511  0.666826  0.500285  1
  Si  Si145  1  0.166508  0.666819  0.832608  1
  Si  Si146  1  0.500917  0.999473  0.166614  1
  Si  Si147  1  0.501192  0.999776  0.501088  1
  Si  Si148  1  0.499965  0.000093  0.832939  1
  Si  Si149  1  0.500921  0.334183  0.166279  1
  Si  Si150  1  0.499923  0.333571  0.499859  1
  Si  Si151  1  0.501261  0.333882  0.831759  1
  Si  Si152  1  0.500339  0.666834  0.166450  1
  Si  Si153  1  0.499920  0.666741  0.499846  1
  Si  Si154  1  0.499971  0.666953  0.832963  1
  Si  Si155  1  0.832100  0.999454  0.166254  1
  Si  Si156  1  0.833001  0.000103  0.499900  1
  Si  Si157  1  0.831815  0.999689  0.831757  1
  Si  Si158  1  0.832126  0.334176  0.166678  1
  Si  Si159  1  0.831815  0.333893  0.501187  1
  Si  Si160  1  0.833049  0.333519  0.832998  1
  Si  Si161  1  0.832660  0.666815  0.166450  1
  Si  Si162  1  0.833024  0.666959  0.499904  1
  Si  Si163  1  0.833026  0.666684  0.832958  1
  Si  Si164  1  0.074617  0.074868  0.074554  1
  Si  Si165  1  0.081761  0.082082  0.418840  1
  Si  Si166  1  0.083027  0.083323  0.749362  1
  Si  Si167  1  0.081787  0.419213  0.081728  1
  Si  Si168  1  0.083459  0.419268  0.418923  1
  Si  Si169  1  0.083078  0.417372  0.749367  1
  Si  Si170  1  0.083008  0.749734  0.082955  1
  Si  Si171  1  0.083031  0.749718  0.417024  1
  Si  Si172  1  0.083160  0.749490  0.749102  1
  Si  Si173  1  0.418891  0.082083  0.081700  1
  Si  Si174  1  0.418899  0.083770  0.418830  1
  Si  Si175  1  0.417049  0.083355  0.749301  1
  Si  Si176  1  0.418978  0.419271  0.083395  1
  Si  Si177  1  0.416753  0.417152  0.416682  1
  Si  Si178  1  0.416769  0.417013  0.749478  1
  Si  Si179  1  0.417080  0.749725  0.082972  1
  Si  Si180  1  0.416692  0.749855  0.416580  1
  Si  Si181  1  0.416645  0.750131  0.749678  1
  Si  Si182  1  0.749421  0.083324  0.082963  1
  Si  Si183  1  0.749361  0.083363  0.416986  1
  Si  Si184  1  0.749207  0.083448  0.749144  1
  Si  Si185  1  0.749429  0.417378  0.083011  1
  Si  Si186  1  0.749534  0.417032  0.416704  1
  Si  Si187  1  0.749788  0.416941  0.749712  1
  Si  Si188  1  0.749159  0.749492  0.083103  1
  Si  Si189  1  0.749739  0.750139  0.416569  1
  Si  Si190  1  0.749796  0.750125  0.749702  1
  Si  Si191  1  0.166508  0.166825  0.992803  1
  Si  Si192  1  0.166513  0.166808  0.340107  1
  Si  Si193  1  0.166483  0.166846  0.666478  1
  Si  Si194  1  0.166735  0.501208  0.999085  1
  Si  Si195  1  0.166310  0.501233  0.333814  1
  Si  Si196  1  0.166506  0.500660  0.666462  1
  Si  Si197  1  0.166332  0.832409  0.999085  1
  Si  Si198  1  0.166676  0.832418  0.333801  1
  Si  Si199  1  0.166519  0.832984  0.666435  1
  Si  Si200  1  0.500921  0.166987  0.999084  1
  Si  Si201  1  0.500916  0.166648  0.333793  1
  Si  Si202  1  0.500344  0.166812  0.666433  1
  Si  Si203  1  0.501250  0.501517  0.999386  1
  Si  Si204  1  0.499954  0.500329  0.333161  1
  Si  Si205  1  0.499963  0.500296  0.666309  1
  Si  Si206  1  0.499925  0.833407  0.999700  1
  Si  Si207  1  0.501174  0.832150  0.333479  1
  Si  Si208  1  0.499912  0.833413  0.666503  1
  Si  Si209  1  0.832123  0.166594  0.999081  1
  Si  Si210  1  0.832094  0.167019  0.333815  1
  Si  Si211  1  0.832672  0.166822  0.666462  1
  Si  Si212  1  0.833059  0.500275  0.999739  1
  Si  Si213  1  0.831809  0.501519  0.333578  1
  Si  Si214  1  0.833018  0.500314  0.666572  1
  Si  Si215  1  0.831814  0.832082  0.999393  1
  Si  Si216  1  0.832995  0.833365  0.333169  1
  Si  Si217  1  0.833032  0.833366  0.666312  1
