# 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  0.166563  0.166807  0.166528  1
  Si  Si2  1  0.258357  0.258648  0.074700  1
  Si  Si3  1  0.251287  0.251598  0.418941  1
  Si  Si4  1  0.250007  0.250348  0.749425  1
  Si  Si5  1  0.250007  0.583914  0.082994  1
  Si  Si6  1  0.250004  0.583982  0.417042  1
  Si  Si7  1  0.249884  0.584136  0.749204  1
  Si  Si8  1  0.251286  0.914399  0.081743  1
  Si  Si9  1  0.249574  0.914427  0.418913  1
  Si  Si10  1  0.250006  0.916301  0.749354  1
  Si  Si11  1  0.583585  0.250344  0.083004  1
  Si  Si12  1  0.583626  0.250343  0.417081  1
  Si  Si13  1  0.583855  0.250208  0.749146  1
  Si  Si14  1  0.583855  0.584198  0.083133  1
  Si  Si15  1  0.583236  0.583629  0.416616  1
  Si  Si16  1  0.583215  0.583632  0.749717  1
  Si  Si17  1  0.583626  0.916261  0.083000  1
  Si  Si18  1  0.583551  0.916682  0.416667  1
  Si  Si19  1  0.583237  0.916724  0.749720  1
  Si  Si20  1  0.914069  0.251588  0.081753  1
  Si  Si21  1  0.914088  0.249890  0.418939  1
  Si  Si22  1  0.915940  0.250332  0.749404  1
  Si  Si23  1  0.915940  0.583939  0.083013  1
  Si  Si24  1  0.916336  0.583839  0.416726  1
  Si  Si25  1  0.916380  0.583611  0.749730  1
  Si  Si26  1  0.914088  0.914401  0.083452  1
  Si  Si27  1  0.916177  0.916613  0.416737  1
  Si  Si28  1  0.916331  0.916616  0.749503  1
  Si  Si29  1  0.992589  0.992832  0.992550  1
  Si  Si30  1  0.999512  0.999902  0.333439  1
  Si  Si31  1  0.999666  0.999971  0.666391  1
  Si  Si32  1  0.999513  0.333851  0.999490  1
  Si  Si33  1  0.992592  0.340791  0.340501  1
  Si  Si34  1  0.999663  0.333714  0.666619  1
  Si  Si35  1  0.999662  0.666717  0.999626  1
  Si  Si36  1  0.999664  0.666950  0.333373  1
  Si  Si37  1  0.999617  0.666894  0.666451  1
  Si  Si38  1  0.333472  0.999904  0.999463  1
  Si  Si39  1  0.340485  0.992907  0.340443  1
  Si  Si40  1  0.333345  0.000047  0.666525  1
  Si  Si41  1  0.340538  0.340792  0.992550  1
  Si  Si42  1  0.333470  0.333880  0.333433  1
  Si  Si43  1  0.333416  0.333715  0.666401  1
  Si  Si44  1  0.333414  0.666942  0.999630  1
  Si  Si45  1  0.333347  0.666813  0.333302  1
  Si  Si46  1  0.333409  0.666839  0.666504  1
  Si  Si47  1  0.666441  0.999957  0.999613  1
  Si  Si48  1  0.666592  0.000058  0.333284  1
  Si  Si49  1  0.666549  0.999974  0.666501  1
  Si  Si50  1  0.666654  0.333708  0.999630  1
  Si  Si51  1  0.666442  0.333724  0.333386  1
  Si  Si52  1  0.666499  0.333760  0.666445  1
  Si  Si53  1  0.666498  0.666897  0.999575  1
  Si  Si54  1  0.666551  0.666841  0.333363  1
  Si  Si55  1  0.666460  0.666937  0.666410  1
  Si  Si56  1  0.258356  0.075036  0.258308  1
  Si  Si57  1  0.249931  0.083467  0.583546  1
  Si  Si58  1  0.251221  0.082161  0.914008  1
  Si  Si59  1  0.251220  0.419332  0.251178  1
  Si  Si60  1  0.250021  0.417451  0.583595  1
  Si  Si61  1  0.249627  0.419284  0.914062  1
  Si  Si62  1  0.249932  0.749791  0.249880  1
  Si  Si63  1  0.249910  0.749539  0.583811  1
  Si  Si64  1  0.250026  0.749751  0.915895  1
  Si  Si65  1  0.583586  0.083457  0.249881  1
  Si  Si66  1  0.583854  0.083484  0.583793  1
  Si  Si67  1  0.583637  0.083362  0.915901  1
  Si  Si68  1  0.583636  0.417445  0.249982  1
  Si  Si69  1  0.583208  0.417014  0.583145  1
  Si  Si70  1  0.583563  0.417081  0.916260  1
  Si  Si71  1  0.583856  0.749548  0.249860  1
  Si  Si72  1  0.583157  0.750243  0.583115  1
  Si  Si73  1  0.583203  0.750201  0.916329  1
  Si  Si74  1  0.914054  0.082151  0.251186  1
  Si  Si75  1  0.915927  0.083361  0.583599  1
  Si  Si76  1  0.914110  0.083752  0.914060  1
  Si  Si77  1  0.914109  0.419279  0.249589  1
  Si  Si78  1  0.916308  0.417085  0.583512  1
  Si  Si79  1  0.916220  0.417168  0.916175  1
  Si  Si80  1  0.915928  0.749743  0.249978  1
  Si  Si81  1  0.916375  0.750194  0.583148  1
  Si  Si82  1  0.916311  0.749829  0.916259  1
  Si  Si83  1  0.992816  0.166871  0.166466  1
  Si  Si84  1  0.999149  0.167017  0.500943  1
  Si  Si85  1  0.999144  0.166651  0.832083  1
  Si  Si86  1  0.999139  0.501263  0.166692  1
  Si  Si87  1  0.999445  0.501537  0.501215  1
  Si  Si88  1  0.999771  0.500337  0.833005  1
  Si  Si89  1  0.999154  0.832402  0.166323  1
  Si  Si90  1  0.999754  0.833432  0.499916  1
  Si  Si91  1  0.999447  0.832131  0.831805  1
  Si  Si92  1  0.340305  0.166847  0.166498  1
  Si  Si93  1  0.333913  0.166685  0.500941  1
  Si  Si94  1  0.333895  0.167045  0.832043  1
  Si  Si95  1  0.333894  0.501295  0.166291  1
  Si  Si96  1  0.333272  0.500367  0.499953  1
  Si  Si97  1  0.333679  0.501535  0.831809  1
  Si  Si98  1  0.333913  0.832393  0.166666  1
  Si  Si99  1  0.333677  0.832177  0.501175  1
  Si  Si100  1  0.333269  0.833385  0.832974  1
  Si  Si101  1  0.666551  0.166889  0.166452  1
  Si  Si102  1  0.666522  0.166846  0.500342  1
  Si  Si103  1  0.666531  0.166868  0.832642  1
  Si  Si104  1  0.666531  0.500702  0.166472  1
  Si  Si105  1  0.666405  0.500356  0.499954  1
  Si  Si106  1  0.666634  0.500372  0.832967  1
  Si  Si107  1  0.666522  0.833002  0.166487  1
  Si  Si108  1  0.666637  0.833409  0.499944  1
  Si  Si109  1  0.666403  0.833392  0.832988  1
  Si  Si110  1  0.074754  0.258637  0.258306  1
  Si  Si111  1  0.083037  0.250355  0.583553  1
  Si  Si112  1  0.081787  0.251595  0.914047  1
  Si  Si113  1  0.083036  0.583922  0.249962  1
  Si  Si114  1  0.083175  0.584190  0.583812  1
  Si  Si115  1  0.083060  0.583942  0.915899  1
  Si  Si116  1  0.081793  0.914402  0.251245  1
  Si  Si117  1  0.083051  0.916263  0.583587  1
  Si  Si118  1  0.083487  0.914402  0.914037  1
  Si  Si119  1  0.418975  0.251593  0.251249  1
  Si  Si120  1  0.417127  0.250341  0.583590  1
  Si  Si121  1  0.418980  0.249889  0.914040  1
  Si  Si122  1  0.417070  0.583984  0.249960  1
  Si  Si123  1  0.416659  0.583622  0.583181  1
  Si  Si124  1  0.416771  0.583837  0.916286  1
  Si  Si125  1  0.418953  0.914434  0.249536  1
  Si  Si126  1  0.416764  0.916705  0.583473  1
  Si  Si127  1  0.416780  0.916614  0.916137  1
  Si  Si128  1  0.749456  0.250356  0.249964  1
  Si  Si129  1  0.749203  0.250212  0.583801  1
  Si  Si130  1  0.749435  0.250327  0.915894  1
  Si  Si131  1  0.749233  0.584149  0.249833  1
  Si  Si132  1  0.749776  0.583645  0.583167  1
  Si  Si133  1  0.749775  0.583611  0.916321  1
  Si  Si134  1  0.749399  0.916303  0.249952  1
  Si  Si135  1  0.749765  0.916732  0.583182  1
  Si  Si136  1  0.749556  0.916623  0.916268  1
  Si  Si137  1  0.166551  0.993084  0.166496  1
  Si  Si138  1  0.166706  0.999469  0.500946  1
  Si  Si139  1  0.166329  0.999485  0.832042  1
  Si  Si140  1  0.166508  0.340568  0.166471  1
  Si  Si141  1  0.166367  0.334234  0.500934  1
  Si  Si142  1  0.166727  0.334247  0.832082  1
  Si  Si143  1  0.166494  0.666824  0.166450  1
  Si  Si144  1  0.166541  0.666858  0.500344  1
  Si  Si145  1  0.166519  0.666849  0.832641  1
  Si  Si146  1  0.500985  0.999471  0.166660  1
  Si  Si147  1  0.501252  0.999770  0.501145  1
  Si  Si148  1  0.500007  0.000109  0.832972  1
  Si  Si149  1  0.500971  0.334228  0.166333  1
  Si  Si150  1  0.499955  0.333628  0.499917  1
  Si  Si151  1  0.501262  0.333934  0.831808  1
  Si  Si152  1  0.500378  0.666857  0.166509  1
  Si  Si153  1  0.499987  0.666764  0.499933  1
  Si  Si154  1  0.499997  0.666996  0.833002  1
  Si  Si155  1  0.832082  0.999487  0.166292  1
  Si  Si156  1  0.833008  0.000115  0.499955  1
  Si  Si157  1  0.831856  0.999724  0.831794  1
  Si  Si158  1  0.832109  0.334251  0.166692  1
  Si  Si159  1  0.831843  0.333950  0.501201  1
  Si  Si160  1  0.833038  0.333620  0.833001  1
  Si  Si161  1  0.832673  0.666853  0.166469  1
  Si  Si162  1  0.833042  0.667001  0.499942  1
  Si  Si163  1  0.833010  0.666750  0.832973  1
  Si  Si164  1  0.074757  0.075040  0.074704  1
  Si  Si165  1  0.081796  0.082098  0.418944  1
  Si  Si166  1  0.083039  0.083381  0.749421  1
  Si  Si167  1  0.081788  0.419298  0.081746  1
  Si  Si168  1  0.083490  0.419306  0.418942  1
  Si  Si169  1  0.083059  0.417443  0.749396  1
  Si  Si170  1  0.083034  0.749778  0.082992  1
  Si  Si171  1  0.083047  0.749756  0.417089  1
  Si  Si172  1  0.083176  0.749528  0.749154  1
  Si  Si173  1  0.418974  0.082091  0.081750  1
  Si  Si174  1  0.418950  0.083815  0.418906  1
  Si  Si175  1  0.417075  0.083380  0.749353  1
  Si  Si176  1  0.418988  0.419302  0.083451  1
  Si  Si177  1  0.416781  0.417202  0.416726  1
  Si  Si178  1  0.416777  0.417054  0.749510  1
  Si  Si179  1  0.417131  0.749754  0.083006  1
  Si  Si180  1  0.416771  0.749877  0.416652  1
  Si  Si181  1  0.416659  0.750156  0.749725  1
  Si  Si182  1  0.749456  0.083377  0.082987  1
  Si  Si183  1  0.749397  0.083394  0.417035  1
  Si  Si184  1  0.749234  0.083513  0.749188  1
  Si  Si185  1  0.749428  0.417445  0.083012  1
  Si  Si186  1  0.749557  0.417072  0.416716  1
  Si  Si187  1  0.749774  0.417024  0.749725  1
  Si  Si188  1  0.749197  0.749538  0.083124  1
  Si  Si189  1  0.749762  0.750164  0.416612  1
  Si  Si190  1  0.749776  0.750178  0.749705  1
  Si  Si191  1  0.166509  0.166870  0.992773  1
  Si  Si192  1  0.166547  0.166841  0.340262  1
  Si  Si193  1  0.166491  0.166894  0.666512  1
  Si  Si194  1  0.166725  0.501261  0.999095  1
  Si  Si195  1  0.166331  0.501301  0.333851  1
  Si  Si196  1  0.166512  0.500700  0.666492  1
  Si  Si197  1  0.166365  0.832403  0.999107  1
  Si  Si198  1  0.166707  0.832390  0.333872  1
  Si  Si199  1  0.166533  0.833001  0.666485  1
  Si  Si200  1  0.500973  0.167015  0.999113  1
  Si  Si201  1  0.500982  0.166682  0.333865  1
  Si  Si202  1  0.500380  0.166834  0.666484  1
  Si  Si203  1  0.501261  0.501539  0.999404  1
  Si  Si204  1  0.500003  0.500377  0.333231  1
  Si  Si205  1  0.499999  0.500346  0.666344  1
  Si  Si206  1  0.499954  0.833425  0.999715  1
  Si  Si207  1  0.501254  0.832196  0.333580  1
  Si  Si208  1  0.499981  0.833418  0.666594  1
  Si  Si209  1  0.832114  0.166642  0.999093  1
  Si  Si210  1  0.832087  0.167047  0.333852  1
  Si  Si211  1  0.832678  0.166872  0.666490  1
  Si  Si212  1  0.833037  0.500338  0.999727  1
  Si  Si213  1  0.831857  0.501546  0.333623  1
  Si  Si214  1  0.833012  0.500376  0.666591  1
  Si  Si215  1  0.831846  0.832139  0.999395  1
  Si  Si216  1  0.833014  0.833388  0.333228  1
  Si  Si217  1  0.833046  0.833396  0.666343  1
