# 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  0.084162  0.249115  0.083908  1
  Si  Si2  1  0.257601  0.249567  0.083667  1
  Si  Si3  1  0.250978  0.249834  0.418108  1
  Si  Si4  1  0.250888  0.249551  0.749254  1
  Si  Si5  1  0.250864  0.584046  0.083764  1
  Si  Si6  1  0.250671  0.584255  0.418174  1
  Si  Si7  1  0.250005  0.583333  0.750001  1
  Si  Si8  1  0.251044  0.915144  0.083445  1
  Si  Si9  1  0.250115  0.916462  0.416830  1
  Si  Si10  1  0.250670  0.915083  0.749013  1
  Si  Si11  1  0.583372  0.249981  0.083347  1
  Si  Si12  1  0.583825  0.249645  0.417436  1
  Si  Si13  1  0.583348  0.249999  0.749988  1
  Si  Si14  1  0.583352  0.583345  0.083335  1
  Si  Si15  1  0.583464  0.583323  0.416750  1
  Si  Si16  1  0.583337  0.583326  0.750003  1
  Si  Si17  1  0.583800  0.915823  0.083637  1
  Si  Si18  1  0.583334  0.916655  0.416678  1
  Si  Si19  1  0.583489  0.916553  0.749985  1
  Si  Si20  1  0.910168  0.249601  0.083663  1
  Si  Si21  1  0.916286  0.249633  0.417827  1
  Si  Si22  1  0.916276  0.249944  0.749072  1
  Si  Si23  1  0.916349  0.584093  0.083289  1
  Si  Si24  1  0.916671  0.583328  0.416676  1
  Si  Si25  1  0.916521  0.584389  0.748920  1
  Si  Si26  1  0.916290  0.915463  0.083682  1
  Si  Si27  1  0.916697  0.914950  0.418261  1
  Si  Si28  1  0.916671  0.916655  0.750003  1
  Si  Si29  1  0.998834  0.997463  0.998811  1
  Si  Si30  1  0.000814  0.997145  0.336143  1
  Si  Si31  1  0.000150  0.999378  0.666428  1
  Si  Si32  1  0.992145  0.341177  0.992101  1
  Si  Si33  1  0.998871  0.334462  0.335791  1
  Si  Si34  1  0.000011  0.333312  0.666497  1
  Si  Si35  1  0.000031  0.666815  0.000002  1
  Si  Si36  1  0.000138  0.666862  0.333913  1
  Si  Si37  1  0.000220  0.667083  0.666235  1
  Si  Si38  1  0.336205  0.997112  0.000750  1
  Si  Si39  1  0.333801  0.999500  0.333762  1
  Si  Si40  1  0.333480  0.999838  0.666688  1
  Si  Si41  1  0.335854  0.334492  0.998812  1
  Si  Si42  1  0.336166  0.332494  0.336136  1
  Si  Si43  1  0.333941  0.333184  0.666431  1
  Si  Si44  1  0.333932  0.666866  0.000138  1
  Si  Si45  1  0.333503  0.666629  0.333488  1
  Si  Si46  1  0.333439  0.666589  0.666713  1
  Si  Si47  1  0.666457  0.999393  0.000142  1
  Si  Si48  1  0.666701  0.999828  0.333486  1
  Si  Si49  1  0.666738  0.999892  0.666712  1
  Si  Si50  1  0.666513  0.333305  0.999998  1
  Si  Si51  1  0.666456  0.333195  0.333924  1
  Si  Si52  1  0.666247  0.333115  0.666237  1
  Si  Si53  1  0.666275  0.667051  0.000217  1
  Si  Si54  1  0.666726  0.666595  0.333435  1
  Si  Si55  1  0.666737  0.666597  0.666732  1
  Si  Si56  1  0.250606  0.082726  0.250560  1
  Si  Si57  1  0.250141  0.083191  0.583491  1
  Si  Si58  1  0.257773  0.075548  0.909795  1
  Si  Si59  1  0.257747  0.423468  0.257675  1
  Si  Si60  1  0.250190  0.416578  0.583484  1
  Si  Si61  1  0.250213  0.416682  0.916625  1
  Si  Si62  1  0.250152  0.749796  0.250141  1
  Si  Si63  1  0.250102  0.749932  0.583386  1
  Si  Si64  1  0.250174  0.749786  0.916759  1
  Si  Si65  1  0.583528  0.083176  0.250135  1
  Si  Si66  1  0.583398  0.083236  0.583386  1
  Si  Si67  1  0.583513  0.083132  0.916754  1
  Si  Si68  1  0.583535  0.416578  0.250147  1
  Si  Si69  1  0.583401  0.416669  0.583392  1
  Si  Si70  1  0.583341  0.416671  0.916663  1
  Si  Si71  1  0.583393  0.749937  0.250108  1
  Si  Si72  1  0.583339  0.749993  0.583338  1
  Si  Si73  1  0.583444  0.749881  0.916652  1
  Si  Si74  1  0.909859  0.075578  0.257686  1
  Si  Si75  1  0.916759  0.083134  0.583483  1
  Si  Si76  1  0.916653  0.083109  0.916620  1
  Si  Si77  1  0.916642  0.416674  0.250175  1
  Si  Si78  1  0.916662  0.416669  0.583340  1
  Si  Si79  1  0.909920  0.423374  0.909872  1
  Si  Si80  1  0.916751  0.749778  0.250144  1
  Si  Si81  1  0.916663  0.749925  0.583396  1
  Si  Si82  1  0.916663  0.749991  0.916662  1
  Si  Si83  1  0.991961  0.157708  0.175541  1
  Si  Si84  1  0.000152  0.166398  0.500442  1
  Si  Si85  1  0.998963  0.165107  0.831177  1
  Si  Si86  1  0.999007  0.502043  0.168184  1
  Si  Si87  1  0.999922  0.500223  0.500315  1
  Si  Si88  1  0.000535  0.502032  0.831212  1
  Si  Si89  1  0.000153  0.832850  0.166929  1
  Si  Si90  1  0.000509  0.832322  0.500878  1
  Si  Si91  1  0.999920  0.832999  0.833088  1
  Si  Si92  1  0.336230  0.164766  0.168418  1
  Si  Si93  1  0.334179  0.166276  0.500786  1
  Si  Si94  1  0.335962  0.166664  0.831275  1
  Si  Si95  1  0.335953  0.502040  0.166636  1
  Si  Si96  1  0.333748  0.499737  0.500411  1
  Si  Si97  1  0.333456  0.500053  0.833273  1
  Si  Si98  1  0.334193  0.832456  0.167034  1
  Si  Si99  1  0.333443  0.833229  0.500102  1
  Si  Si100  1  0.333708  0.832803  0.833515  1
  Si  Si101  1  0.666586  0.166562  0.166759  1
  Si  Si102  1  0.666577  0.166445  0.500845  1
  Si  Si103  1  0.666419  0.166459  0.833088  1
  Si  Si104  1  0.666505  0.500185  0.166789  1
  Si  Si105  1  0.666752  0.499958  0.500097  1
  Si  Si106  1  0.666548  0.499978  0.833308  1
  Si  Si107  1  0.666559  0.832443  0.166872  1
  Si  Si108  1  0.666759  0.833274  0.500034  1
  Si  Si109  1  0.666751  0.833230  0.833375  1
  Si  Si110  1  0.083763  0.249567  0.257464  1
  Si  Si111  1  0.083346  0.249987  0.583356  1
  Si  Si112  1  0.083688  0.249636  0.910011  1
  Si  Si113  1  0.083770  0.584045  0.250860  1
  Si  Si114  1  0.083335  0.583345  0.583346  1
  Si  Si115  1  0.083324  0.584139  0.916264  1
  Si  Si116  1  0.083514  0.915205  0.250950  1
  Si  Si117  1  0.083638  0.915826  0.583742  1
  Si  Si118  1  0.083694  0.915461  0.916292  1
  Si  Si119  1  0.418125  0.249799  0.250949  1
  Si  Si120  1  0.417482  0.249670  0.583759  1
  Si  Si121  1  0.417862  0.249641  0.916287  1
  Si  Si122  1  0.418223  0.584286  0.250653  1
  Si  Si123  1  0.416742  0.583322  0.583431  1
  Si  Si124  1  0.416678  0.583328  0.916671  1
  Si  Si125  1  0.416860  0.916446  0.250116  1
  Si  Si126  1  0.416678  0.916655  0.583334  1
  Si  Si127  1  0.418336  0.914945  0.916600  1
  Si  Si128  1  0.749267  0.249565  0.250858  1
  Si  Si129  1  0.749988  0.249999  0.583346  1
  Si  Si130  1  0.749118  0.249962  0.916251  1
  Si  Si131  1  0.750004  0.583328  0.250006  1
  Si  Si132  1  0.750005  0.583327  0.583333  1
  Si  Si133  1  0.748950  0.584376  0.916484  1
  Si  Si134  1  0.749047  0.915111  0.250653  1
  Si  Si135  1  0.750005  0.916585  0.583438  1
  Si  Si136  1  0.750005  0.916656  0.916671  1
  Si  Si137  1  0.168556  0.997103  0.168429  1
  Si  Si138  1  0.167041  0.999145  0.500804  1
  Si  Si139  1  0.166672  0.997335  0.831275  1
  Si  Si140  1  0.175614  0.341335  0.175535  1
  Si  Si141  1  0.166932  0.333182  0.500445  1
  Si  Si142  1  0.168209  0.334371  0.831187  1
  Si  Si143  1  0.166769  0.666739  0.166764  1
  Si  Si144  1  0.166891  0.666754  0.500846  1
  Si  Si145  1  0.166824  0.666858  0.833111  1
  Si  Si146  1  0.500851  0.999109  0.167034  1
  Si  Si147  1  0.500104  0.999893  0.500104  1
  Si  Si148  1  0.500485  0.999585  0.833515  1
  Si  Si149  1  0.500466  0.333175  0.166931  1
  Si  Si150  1  0.500985  0.332801  0.500904  1
  Si  Si151  1  0.500330  0.333410  0.833094  1
  Si  Si152  1  0.500888  0.666766  0.166871  1
  Si  Si153  1  0.500050  0.666568  0.500034  1
  Si  Si154  1  0.500102  0.666576  0.833370  1
  Si  Si155  1  0.831294  0.997374  0.166635  1
  Si  Si156  1  0.833579  0.999580  0.500420  1
  Si  Si157  1  0.833277  0.999876  0.833272  1
  Si  Si158  1  0.831261  0.334328  0.168166  1
  Si  Si159  1  0.833111  0.333411  0.500314  1
  Si  Si160  1  0.831270  0.332735  0.831226  1
  Si  Si161  1  0.833151  0.666804  0.166771  1
  Si  Si162  1  0.833376  0.666579  0.500097  1
  Si  Si163  1  0.833348  0.666785  0.833311  1
  Si  Si164  1  0.083748  0.075715  0.083655  1
  Si  Si165  1  0.083485  0.082338  0.418108  1
  Si  Si166  1  0.083795  0.082423  0.749254  1
  Si  Si167  1  0.083731  0.423142  0.083683  1
  Si  Si168  1  0.083699  0.417047  0.417829  1
  Si  Si169  1  0.083373  0.417044  0.749069  1
  Si  Si170  1  0.083357  0.749944  0.083356  1
  Si  Si171  1  0.083687  0.749490  0.417424  1
  Si  Si172  1  0.083334  0.749981  0.749986  1
  Si  Si173  1  0.418191  0.082278  0.083434  1
  Si  Si174  1  0.416857  0.083189  0.416823  1
  Si  Si175  1  0.418230  0.082658  0.749019  1
  Si  Si176  1  0.417862  0.417033  0.083686  1
  Si  Si177  1  0.418367  0.416601  0.418266  1
  Si  Si178  1  0.416678  0.416662  0.750003  1
  Si  Si179  1  0.417478  0.749509  0.083648  1
  Si  Si180  1  0.416678  0.749998  0.416678  1
  Si  Si181  1  0.416775  0.749833  0.749989  1
  Si  Si182  1  0.749286  0.082469  0.083764  1
  Si  Si183  1  0.749073  0.082664  0.418174  1
  Si  Si184  1  0.749998  0.083325  0.749999  1
  Si  Si185  1  0.749205  0.416999  0.083285  1
  Si  Si186  1  0.750004  0.416662  0.416676  1
  Si  Si187  1  0.748950  0.416804  0.748927  1
  Si  Si188  1  0.749987  0.749980  0.083334  1
  Si  Si189  1  0.750005  0.749852  0.416761  1
  Si  Si190  1  0.750007  0.749997  0.750005  1
  Si  Si191  1  0.175633  0.157691  0.991783  1
  Si  Si192  1  0.168492  0.164819  0.336166  1
  Si  Si193  1  0.166768  0.166563  0.666564  1
  Si  Si194  1  0.168201  0.502072  0.998951  1
  Si  Si195  1  0.166673  0.502018  0.335888  1
  Si  Si196  1  0.166884  0.500237  0.666408  1
  Si  Si197  1  0.166944  0.832832  0.000151  1
  Si  Si198  1  0.167043  0.832493  0.334133  1
  Si  Si199  1  0.166863  0.832437  0.666523  1
  Si  Si200  1  0.500482  0.166385  0.000140  1
  Si  Si201  1  0.500831  0.166268  0.334142  1
  Si  Si202  1  0.500881  0.166456  0.666534  1
  Si  Si203  1  0.500326  0.500238  0.999916  1
  Si  Si204  1  0.500494  0.499769  0.333690  1
  Si  Si205  1  0.500104  0.499963  0.666739  1
  Si  Si206  1  0.500948  0.832339  0.000459  1
  Si  Si207  1  0.500103  0.833228  0.333445  1
  Si  Si208  1  0.500046  0.833273  0.666748  1
  Si  Si209  1  0.831246  0.165127  0.998935  1
  Si  Si210  1  0.831304  0.166666  0.335885  1
  Si  Si211  1  0.833091  0.166434  0.666396  1
  Si  Si212  1  0.831290  0.502028  0.000466  1
  Si  Si213  1  0.833288  0.500042  0.333448  1
  Si  Si214  1  0.833327  0.499996  0.666540  1
  Si  Si215  1  0.833085  0.832997  0.999914  1
  Si  Si216  1  0.833545  0.832809  0.333686  1
  Si  Si217  1  0.833369  0.833229  0.666739  1
