# 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  0.166451  0.166803  0.166516  1
  Si  Si2  1  0.258237  0.258611  0.074714  1
  Si  Si3  1  0.251188  0.251573  0.418944  1
  Si  Si4  1  0.249909  0.250317  0.749429  1
  Si  Si5  1  0.249913  0.583893  0.083001  1
  Si  Si6  1  0.249913  0.583963  0.417053  1
  Si  Si7  1  0.249808  0.584135  0.749184  1
  Si  Si8  1  0.251188  0.914378  0.081747  1
  Si  Si9  1  0.249456  0.914378  0.418945  1
  Si  Si10  1  0.249917  0.916274  0.749360  1
  Si  Si11  1  0.583490  0.250320  0.082999  1
  Si  Si12  1  0.583537  0.250309  0.417094  1
  Si  Si13  1  0.583753  0.250192  0.749162  1
  Si  Si14  1  0.583751  0.584159  0.083123  1
  Si  Si15  1  0.583129  0.583614  0.416647  1
  Si  Si16  1  0.583117  0.583590  0.749707  1
  Si  Si17  1  0.583535  0.916223  0.083014  1
  Si  Si18  1  0.583377  0.916564  0.416678  1
  Si  Si19  1  0.583130  0.916675  0.749703  1
  Si  Si20  1  0.913970  0.251606  0.081720  1
  Si  Si21  1  0.913968  0.249883  0.418944  1
  Si  Si22  1  0.915853  0.250298  0.749401  1
  Si  Si23  1  0.915848  0.583922  0.083025  1
  Si  Si24  1  0.916191  0.583797  0.416739  1
  Si  Si25  1  0.916283  0.583587  0.749739  1
  Si  Si26  1  0.913974  0.914381  0.083439  1
  Si  Si27  1  0.916069  0.916582  0.416737  1
  Si  Si28  1  0.916188  0.916585  0.749528  1
  Si  Si29  1  0.992504  0.992844  0.992560  1
  Si  Si30  1  0.999399  0.999889  0.333430  1
  Si  Si31  1  0.999552  0.999939  0.666420  1
  Si  Si32  1  0.999417  0.333868  0.999462  1
  Si  Si33  1  0.992503  0.340762  0.340476  1
  Si  Si34  1  0.999594  0.333679  0.666620  1
  Si  Si35  1  0.999593  0.666702  0.999647  1
  Si  Si36  1  0.999553  0.666907  0.333380  1
  Si  Si37  1  0.999512  0.666878  0.666446  1
  Si  Si38  1  0.333374  0.999894  0.999470  1
  Si  Si39  1  0.340424  0.992816  0.340505  1
  Si  Si40  1  0.333260  0.000007  0.666545  1
  Si  Si41  1  0.340416  0.340759  0.992568  1
  Si  Si42  1  0.333374  0.333849  0.333426  1
  Si  Si43  1  0.333319  0.333699  0.666406  1
  Si  Si44  1  0.333322  0.666917  0.999618  1
  Si  Si45  1  0.333257  0.666778  0.333316  1
  Si  Si46  1  0.333314  0.666819  0.666497  1
  Si  Si47  1  0.666344  0.999946  0.999635  1
  Si  Si48  1  0.666466  0.000002  0.333318  1
  Si  Si49  1  0.666446  0.999938  0.666504  1
  Si  Si50  1  0.666571  0.333683  0.999636  1
  Si  Si51  1  0.666349  0.333691  0.333375  1
  Si  Si52  1  0.666376  0.333753  0.666449  1
  Si  Si53  1  0.666378  0.666877  0.999568  1
  Si  Si54  1  0.666447  0.666817  0.333382  1
  Si  Si55  1  0.666350  0.666900  0.666416  1
  Si  Si56  1  0.258280  0.074964  0.258344  1
  Si  Si57  1  0.249825  0.083412  0.583563  1
  Si  Si58  1  0.251128  0.082131  0.913998  1
  Si  Si59  1  0.251131  0.419330  0.251194  1
  Si  Si60  1  0.249937  0.417444  0.583612  1
  Si  Si61  1  0.249538  0.419247  0.914068  1
  Si  Si62  1  0.249830  0.749761  0.249902  1
  Si  Si63  1  0.249827  0.749512  0.583799  1
  Si  Si64  1  0.249937  0.749713  0.915878  1
  Si  Si65  1  0.583504  0.083432  0.249878  1
  Si  Si66  1  0.583748  0.083429  0.583819  1
  Si  Si67  1  0.583552  0.083329  0.915875  1
  Si  Si68  1  0.583550  0.417445  0.249992  1
  Si  Si69  1  0.583079  0.417020  0.583149  1
  Si  Si70  1  0.583435  0.417042  0.916260  1
  Si  Si71  1  0.583749  0.749503  0.249892  1
  Si  Si72  1  0.583064  0.750184  0.583139  1
  Si  Si73  1  0.583081  0.750160  0.916288  1
  Si  Si74  1  0.913936  0.082131  0.251190  1
  Si  Si75  1  0.915813  0.083326  0.583609  1
  Si  Si76  1  0.914000  0.083718  0.914066  1
  Si  Si77  1  0.913998  0.419253  0.249605  1
  Si  Si78  1  0.916208  0.417042  0.583505  1
  Si  Si79  1  0.916090  0.417163  0.916162  1
  Si  Si80  1  0.915817  0.749714  0.249998  1
  Si  Si81  1  0.916218  0.750160  0.583164  1
  Si  Si82  1  0.916211  0.749818  0.916279  1
  Si  Si83  1  0.992692  0.166862  0.166463  1
  Si  Si84  1  0.999033  0.166994  0.500941  1
  Si  Si85  1  0.999031  0.166619  0.832089  1
  Si  Si86  1  0.999030  0.501236  0.166702  1
  Si  Si87  1  0.999334  0.501520  0.501210  1
  Si  Si88  1  0.999674  0.500322  0.833005  1
  Si  Si89  1  0.999035  0.832386  0.166328  1
  Si  Si90  1  0.999645  0.833399  0.499924  1
  Si  Si91  1  0.999336  0.832118  0.831803  1
  Si  Si92  1  0.340183  0.166778  0.166541  1
  Si  Si93  1  0.333805  0.166652  0.500949  1
  Si  Si94  1  0.333807  0.167015  0.832053  1
  Si  Si95  1  0.333812  0.501279  0.166308  1
  Si  Si96  1  0.333186  0.500369  0.499972  1
  Si  Si97  1  0.333550  0.501508  0.831804  1
  Si  Si98  1  0.333809  0.832376  0.166662  1
  Si  Si99  1  0.333514  0.832140  0.501178  1
  Si  Si100  1  0.333191  0.833346  0.832955  1
  Si  Si101  1  0.666470  0.166871  0.166449  1
  Si  Si102  1  0.666432  0.166812  0.500361  1
  Si  Si103  1  0.666452  0.166851  0.832642  1
  Si  Si104  1  0.666452  0.500686  0.166471  1
  Si  Si105  1  0.666292  0.500330  0.499947  1
  Si  Si106  1  0.666544  0.500347  0.832970  1
  Si  Si107  1  0.666433  0.832960  0.166511  1
  Si  Si108  1  0.666492  0.833363  0.499951  1
  Si  Si109  1  0.666296  0.833373  0.832989  1
  Si  Si110  1  0.074638  0.258608  0.258301  1
  Si  Si111  1  0.082947  0.250309  0.583545  1
  Si  Si112  1  0.081663  0.251599  0.914015  1
  Si  Si113  1  0.082937  0.583885  0.249969  1
  Si  Si114  1  0.083065  0.584169  0.583804  1
  Si  Si115  1  0.082962  0.583909  0.915906  1
  Si  Si116  1  0.081680  0.914375  0.251252  1
  Si  Si117  1  0.082938  0.916230  0.583603  1
  Si  Si118  1  0.083386  0.914382  0.914039  1
  Si  Si119  1  0.418888  0.251576  0.251244  1
  Si  Si120  1  0.417034  0.250310  0.583600  1
  Si  Si121  1  0.418879  0.249880  0.914039  1
  Si  Si122  1  0.417000  0.583968  0.249972  1
  Si  Si123  1  0.416581  0.583618  0.583194  1
  Si  Si124  1  0.416673  0.583799  0.916260  1
  Si  Si125  1  0.418877  0.914379  0.249531  1
  Si  Si126  1  0.416606  0.916612  0.583486  1
  Si  Si127  1  0.416668  0.916586  0.916128  1
  Si  Si128  1  0.749379  0.250312  0.249968  1
  Si  Si129  1  0.749084  0.250195  0.583823  1
  Si  Si130  1  0.749356  0.250292  0.915911  1
  Si  Si131  1  0.749129  0.584130  0.249863  1
  Si  Si132  1  0.749635  0.583581  0.583186  1
  Si  Si133  1  0.749677  0.583582  0.916352  1
  Si  Si134  1  0.749303  0.916268  0.249974  1
  Si  Si135  1  0.749644  0.916677  0.583195  1
  Si  Si136  1  0.749452  0.916590  0.916278  1
  Si  Si137  1  0.166458  0.993076  0.166534  1
  Si  Si138  1  0.166588  0.999450  0.500946  1
  Si  Si139  1  0.166245  0.999451  0.832048  1
  Si  Si140  1  0.166406  0.340576  0.166466  1
  Si  Si141  1  0.166269  0.334219  0.500939  1
  Si  Si142  1  0.166638  0.334217  0.832083  1
  Si  Si143  1  0.166396  0.666802  0.166459  1
  Si  Si144  1  0.166449  0.666833  0.500350  1
  Si  Si145  1  0.166417  0.666822  0.832637  1
  Si  Si146  1  0.500880  0.999456  0.166663  1
  Si  Si147  1  0.501105  0.999731  0.501189  1
  Si  Si148  1  0.499910  0.000075  0.832957  1
  Si  Si149  1  0.500878  0.334226  0.166320  1
  Si  Si150  1  0.499848  0.333605  0.499909  1
  Si  Si151  1  0.501144  0.333922  0.831796  1
  Si  Si152  1  0.500299  0.666828  0.166504  1
  Si  Si153  1  0.499889  0.666754  0.499952  1
  Si  Si154  1  0.499888  0.666952  0.832968  1
  Si  Si155  1  0.831989  0.999449  0.166306  1
  Si  Si156  1  0.832894  0.000072  0.499971  1
  Si  Si157  1  0.831736  0.999709  0.831813  1
  Si  Si158  1  0.832030  0.334220  0.166697  1
  Si  Si159  1  0.831731  0.333917  0.501220  1
  Si  Si160  1  0.832948  0.333575  0.832998  1
  Si  Si161  1  0.832579  0.666820  0.166473  1
  Si  Si162  1  0.832906  0.666952  0.499962  1
  Si  Si163  1  0.832914  0.666719  0.832978  1
  Si  Si164  1  0.074646  0.075040  0.074722  1
  Si  Si165  1  0.081676  0.082073  0.418941  1
  Si  Si166  1  0.082938  0.083352  0.749438  1
  Si  Si167  1  0.081667  0.419312  0.081727  1
  Si  Si168  1  0.083381  0.419284  0.418942  1
  Si  Si169  1  0.082962  0.417414  0.749409  1
  Si  Si170  1  0.082950  0.749774  0.083017  1
  Si  Si171  1  0.082940  0.749718  0.417090  1
  Si  Si172  1  0.083069  0.749515  0.749149  1
  Si  Si173  1  0.418885  0.082078  0.081742  1
  Si  Si174  1  0.418881  0.083797  0.418939  1
  Si  Si175  1  0.416996  0.083355  0.749358  1
  Si  Si176  1  0.418880  0.419289  0.083441  1
  Si  Si177  1  0.416666  0.417193  0.416738  1
  Si  Si178  1  0.416671  0.417050  0.749511  1
  Si  Si179  1  0.417035  0.749720  0.083008  1
  Si  Si180  1  0.416606  0.749835  0.416706  1
  Si  Si181  1  0.416587  0.750114  0.749699  1
  Si  Si182  1  0.749380  0.083356  0.083007  1
  Si  Si183  1  0.749299  0.083347  0.417053  1
  Si  Si184  1  0.749126  0.083458  0.749191  1
  Si  Si185  1  0.749351  0.417415  0.083030  1
  Si  Si186  1  0.749452  0.417044  0.416734  1
  Si  Si187  1  0.749683  0.416967  0.749741  1
  Si  Si188  1  0.749086  0.749502  0.083127  1
  Si  Si189  1  0.749647  0.750122  0.416649  1
  Si  Si190  1  0.749637  0.750127  0.749731  1
  Si  Si191  1  0.166405  0.166861  0.992756  1
  Si  Si192  1  0.166466  0.166781  0.340250  1
  Si  Si193  1  0.166392  0.166863  0.666522  1
  Si  Si194  1  0.166643  0.501239  0.999093  1
  Si  Si195  1  0.166244  0.501280  0.333871  1
  Si  Si196  1  0.166414  0.500687  0.666506  1
  Si  Si197  1  0.166271  0.832380  0.999104  1
  Si  Si198  1  0.166596  0.832375  0.333869  1
  Si  Si199  1  0.166450  0.832976  0.666486  1
  Si  Si200  1  0.500878  0.166997  0.999092  1
  Si  Si201  1  0.500887  0.166657  0.333861  1
  Si  Si202  1  0.500294  0.166813  0.666498  1
  Si  Si203  1  0.501149  0.501518  0.999390  1
  Si  Si204  1  0.499908  0.500366  0.333249  1
  Si  Si205  1  0.499882  0.500338  0.666355  1
  Si  Si206  1  0.499854  0.833407  0.999709  1
  Si  Si207  1  0.501103  0.832126  0.333581  1
  Si  Si208  1  0.499887  0.833366  0.666567  1
  Si  Si209  1  0.832036  0.166624  0.999102  1
  Si  Si210  1  0.831991  0.167011  0.333872  1
  Si  Si211  1  0.832577  0.166852  0.666506  1
  Si  Si212  1  0.832942  0.500326  0.999742  1
  Si  Si213  1  0.831737  0.501513  0.333617  1
  Si  Si214  1  0.832911  0.500347  0.666606  1
  Si  Si215  1  0.831735  0.832106  0.999401  1
  Si  Si216  1  0.832893  0.833352  0.333253  1
  Si  Si217  1  0.832906  0.833362  0.666371  1
