# 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  0.083497  0.249966  0.083288  1
  Si  Si2  1  0.257166  0.249971  0.083322  1
  Si  Si3  1  0.250756  0.250189  0.417738  1
  Si  Si4  1  0.250735  0.249770  0.748841  1
  Si  Si5  1  0.250705  0.584379  0.083493  1
  Si  Si6  1  0.250444  0.584749  0.418065  1
  Si  Si7  1  0.250149  0.583467  0.749942  1
  Si  Si8  1  0.250708  0.915572  0.083065  1
  Si  Si9  1  0.250032  0.916410  0.416810  1
  Si  Si10  1  0.250388  0.915259  0.748635  1
  Si  Si11  1  0.583386  0.250119  0.083318  1
  Si  Si12  1  0.583302  0.250024  0.417163  1
  Si  Si13  1  0.583382  0.249952  0.749412  1
  Si  Si14  1  0.583307  0.583863  0.083310  1
  Si  Si15  1  0.583390  0.583618  0.416894  1
  Si  Si16  1  0.583141  0.583502  0.749881  1
  Si  Si17  1  0.583316  0.916151  0.083298  1
  Si  Si18  1  0.583068  0.916558  0.416749  1
  Si  Si19  1  0.583507  0.916594  0.749798  1
  Si  Si20  1  0.909613  0.250028  0.083320  1
  Si  Si21  1  0.915947  0.249893  0.417782  1
  Si  Si22  1  0.915959  0.250234  0.748851  1
  Si  Si23  1  0.915882  0.584424  0.083173  1
  Si  Si24  1  0.916546  0.583558  0.416841  1
  Si  Si25  1  0.916193  0.584783  0.748661  1
  Si  Si26  1  0.915891  0.915626  0.083555  1
  Si  Si27  1  0.916240  0.915319  0.417976  1
  Si  Si28  1  0.916529  0.916439  0.749779  1
  Si  Si29  1  0.998474  0.997571  0.998555  1
  Si  Si30  1  0.000289  0.997574  0.335730  1
  Si  Si31  1  0.999810  0.999358  0.666173  1
  Si  Si32  1  0.991578  0.341757  0.991513  1
  Si  Si33  1  0.998574  0.334817  0.335794  1
  Si  Si34  1  0.999910  0.333502  0.666264  1
  Si  Si35  1  0.999775  0.666955  0.999842  1
  Si  Si36  1  0.999833  0.667101  0.333879  1
  Si  Si37  1  0.999854  0.667416  0.665961  1
  Si  Si38  1  0.335820  0.997511  0.000205  1
  Si  Si39  1  0.333527  0.999674  0.333602  1
  Si  Si40  1  0.333495  0.999752  0.666389  1
  Si  Si41  1  0.335884  0.334683  0.998536  1
  Si  Si42  1  0.335850  0.333068  0.335797  1
  Si  Si43  1  0.333861  0.333492  0.666168  1
  Si  Si44  1  0.333819  0.667130  0.999831  1
  Si  Si45  1  0.333464  0.666981  0.333484  1
  Si  Si46  1  0.333501  0.666699  0.666724  1
  Si  Si47  1  0.666266  0.999410  0.999841  1
  Si  Si48  1  0.666297  0.999800  0.333527  1
  Si  Si49  1  0.666579  0.999979  0.666537  1
  Si  Si50  1  0.666314  0.333555  0.999835  1
  Si  Si51  1  0.666194  0.333547  0.333906  1
  Si  Si52  1  0.666065  0.333331  0.665970  1
  Si  Si53  1  0.665990  0.667345  0.999965  1
  Si  Si54  1  0.666490  0.666829  0.333493  1
  Si  Si55  1  0.666507  0.666751  0.666610  1
  Si  Si56  1  0.250266  0.082995  0.250302  1
  Si  Si57  1  0.250141  0.083057  0.583271  1
  Si  Si58  1  0.257336  0.075956  0.909255  1
  Si  Si59  1  0.257379  0.423980  0.257299  1
  Si  Si60  1  0.250191  0.416974  0.583372  1
  Si  Si61  1  0.250343  0.416907  0.916348  1
  Si  Si62  1  0.250150  0.750078  0.250115  1
  Si  Si63  1  0.250271  0.749946  0.583460  1
  Si  Si64  1  0.250075  0.749928  0.916412  1
  Si  Si65  1  0.583226  0.083184  0.250192  1
  Si  Si66  1  0.583275  0.083058  0.583179  1
  Si  Si67  1  0.583380  0.083077  0.916478  1
  Si  Si68  1  0.583348  0.416987  0.250244  1
  Si  Si69  1  0.583316  0.416936  0.583420  1
  Si  Si70  1  0.583265  0.416863  0.916337  1
  Si  Si71  1  0.583151  0.750023  0.250265  1
  Si  Si72  1  0.583292  0.750170  0.583275  1
  Si  Si73  1  0.583361  0.750025  0.916384  1
  Si  Si74  1  0.909382  0.076110  0.257281  1
  Si  Si75  1  0.916480  0.083156  0.583354  1
  Si  Si76  1  0.916257  0.083063  0.916301  1
  Si  Si77  1  0.916274  0.417042  0.250353  1
  Si  Si78  1  0.916509  0.416974  0.583265  1
  Si  Si79  1  0.909367  0.423922  0.909410  1
  Si  Si80  1  0.916453  0.749970  0.250180  1
  Si  Si81  1  0.916247  0.750034  0.583251  1
  Si  Si82  1  0.916334  0.750031  0.916509  1
  Si  Si83  1  0.991550  0.158239  0.175086  1
  Si  Si84  1  0.999901  0.166597  0.500349  1
  Si  Si85  1  0.998545  0.165241  0.830818  1
  Si  Si86  1  0.998546  0.502459  0.168096  1
  Si  Si87  1  0.999899  0.500660  0.500425  1
  Si  Si88  1  0.000215  0.502443  0.830871  1
  Si  Si89  1  0.999854  0.832978  0.166763  1
  Si  Si90  1  0.999917  0.832628  0.500607  1
  Si  Si91  1  0.999737  0.832841  0.832797  1
  Si  Si92  1  0.335826  0.165210  0.168101  1
  Si  Si93  1  0.333835  0.166489  0.500476  1
  Si  Si94  1  0.335824  0.166898  0.830791  1
  Si  Si95  1  0.335821  0.502426  0.166325  1
  Si  Si96  1  0.333596  0.500308  0.500337  1
  Si  Si97  1  0.333662  0.500231  0.833105  1
  Si  Si98  1  0.333878  0.832920  0.166770  1
  Si  Si99  1  0.333355  0.833224  0.500098  1
  Si  Si100  1  0.333497  0.832998  0.833109  1
  Si  Si101  1  0.666290  0.166595  0.166812  1
  Si  Si102  1  0.666001  0.166652  0.500591  1
  Si  Si103  1  0.666208  0.166495  0.832785  1
  Si  Si104  1  0.666208  0.500667  0.166883  1
  Si  Si105  1  0.666493  0.500189  0.500108  1
  Si  Si106  1  0.666388  0.500211  0.833039  1
  Si  Si107  1  0.665895  0.832661  0.166717  1
  Si  Si108  1  0.666606  0.833469  0.499999  1
  Si  Si109  1  0.666599  0.833353  0.833172  1
  Si  Si110  1  0.083324  0.250036  0.257080  1
  Si  Si111  1  0.083425  0.250098  0.583253  1
  Si  Si112  1  0.083365  0.249933  0.909518  1
  Si  Si113  1  0.083528  0.584438  0.250684  1
  Si  Si114  1  0.083310  0.583921  0.583396  1
  Si  Si115  1  0.083092  0.584354  0.915957  1
  Si  Si116  1  0.083137  0.915575  0.250675  1
  Si  Si117  1  0.083297  0.916077  0.583285  1
  Si  Si118  1  0.083403  0.915594  0.915915  1
  Si  Si119  1  0.417790  0.250176  0.250716  1
  Si  Si120  1  0.417167  0.250005  0.583303  1
  Si  Si121  1  0.417814  0.249740  0.915869  1
  Si  Si122  1  0.417990  0.584709  0.250431  1
  Si  Si123  1  0.416839  0.583551  0.583540  1
  Si  Si124  1  0.416798  0.583521  0.916630  1
  Si  Si125  1  0.416782  0.916577  0.250008  1
  Si  Si126  1  0.416710  0.916455  0.583207  1
  Si  Si127  1  0.418038  0.915235  0.916176  1
  Si  Si128  1  0.748910  0.249874  0.250729  1
  Si  Si129  1  0.749501  0.250019  0.583240  1
  Si  Si130  1  0.748873  0.250215  0.915939  1
  Si  Si131  1  0.749781  0.583618  0.250183  1
  Si  Si132  1  0.749762  0.583518  0.583233  1
  Si  Si133  1  0.748587  0.584679  0.916219  1
  Si  Si134  1  0.748549  0.915291  0.250424  1
  Si  Si135  1  0.749832  0.916686  0.583429  1
  Si  Si136  1  0.749866  0.916568  0.916477  1
  Si  Si137  1  0.168070  0.997516  0.168006  1
  Si  Si138  1  0.166773  0.999365  0.500389  1
  Si  Si139  1  0.166304  0.997518  0.830854  1
  Si  Si140  1  0.175175  0.341808  0.175161  1
  Si  Si141  1  0.166870  0.333553  0.500277  1
  Si  Si142  1  0.168106  0.334710  0.830817  1
  Si  Si143  1  0.166748  0.667025  0.166701  1
  Si  Si144  1  0.166701  0.667341  0.500725  1
  Si  Si145  1  0.166733  0.667044  0.832752  1
  Si  Si146  1  0.500442  0.999475  0.166759  1
  Si  Si147  1  0.499915  0.999794  0.500035  1
  Si  Si148  1  0.500298  0.999754  0.833085  1
  Si  Si149  1  0.500382  0.333501  0.166820  1
  Si  Si150  1  0.500671  0.333372  0.500696  1
  Si  Si151  1  0.500454  0.333424  0.832653  1
  Si  Si152  1  0.500590  0.667308  0.166639  1
  Si  Si153  1  0.499922  0.666859  0.500044  1
  Si  Si154  1  0.500052  0.666712  0.833277  1
  Si  Si155  1  0.830824  0.997572  0.166448  1
  Si  Si156  1  0.833156  0.999849  0.500225  1
  Si  Si157  1  0.833037  0.999750  0.832929  1
  Si  Si158  1  0.830865  0.334783  0.168067  1
  Si  Si159  1  0.832759  0.333610  0.500426  1
  Si  Si160  1  0.830890  0.333049  0.830868  1
  Si  Si161  1  0.832715  0.667149  0.166828  1
  Si  Si162  1  0.833048  0.666729  0.499995  1
  Si  Si163  1  0.832998  0.666996  0.833100  1
  Si  Si164  1  0.083321  0.076233  0.083250  1
  Si  Si165  1  0.083142  0.082619  0.417754  1
  Si  Si166  1  0.083461  0.082576  0.748838  1
  Si  Si167  1  0.083317  0.423722  0.083365  1
  Si  Si168  1  0.083554  0.417465  0.417716  1
  Si  Si169  1  0.083144  0.417405  0.748911  1
  Si  Si170  1  0.083242  0.749983  0.083209  1
  Si  Si171  1  0.083318  0.749947  0.417188  1
  Si  Si172  1  0.083240  0.749974  0.749500  1
  Si  Si173  1  0.417761  0.082616  0.083080  1
  Si  Si174  1  0.416690  0.083185  0.416843  1
  Si  Si175  1  0.418082  0.082869  0.748554  1
  Si  Si176  1  0.417811  0.417366  0.083465  1
  Si  Si177  1  0.418045  0.417135  0.418089  1
  Si  Si178  1  0.416798  0.416727  0.749801  1
  Si  Si179  1  0.417138  0.750002  0.083299  1
  Si  Si180  1  0.416650  0.750194  0.416756  1
  Si  Si181  1  0.416846  0.749832  0.749928  1
  Si  Si182  1  0.748881  0.082635  0.083547  1
  Si  Si183  1  0.748623  0.082912  0.417962  1
  Si  Si184  1  0.749809  0.083317  0.749764  1
  Si  Si185  1  0.748860  0.417456  0.083188  1
  Si  Si186  1  0.749741  0.416863  0.416870  1
  Si  Si187  1  0.748683  0.417100  0.748578  1
  Si  Si188  1  0.749417  0.750047  0.083346  1
  Si  Si189  1  0.749761  0.749964  0.416793  1
  Si  Si190  1  0.749737  0.750174  0.749811  1
  Si  Si191  1  0.175205  0.158138  0.991456  1
  Si  Si192  1  0.168068  0.165270  0.335794  1
  Si  Si193  1  0.166754  0.166524  0.666272  1
  Si  Si194  1  0.168069  0.502389  0.998571  1
  Si  Si195  1  0.166447  0.502508  0.335755  1
  Si  Si196  1  0.166824  0.500638  0.666292  1
  Si  Si197  1  0.166723  0.833002  0.999808  1
  Si  Si198  1  0.166756  0.832852  0.333864  1
  Si  Si199  1  0.166625  0.832634  0.666045  1
  Si  Si200  1  0.500411  0.166561  0.999885  1
  Si  Si201  1  0.500361  0.166478  0.333965  1
  Si  Si202  1  0.500685  0.166631  0.665905  1
  Si  Si203  1  0.500476  0.500557  0.999783  1
  Si  Si204  1  0.500271  0.500311  0.333626  1
  Si  Si205  1  0.500017  0.500148  0.666663  1
  Si  Si206  1  0.500650  0.832664  0.999965  1
  Si  Si207  1  0.499894  0.833337  0.333439  1
  Si  Si208  1  0.499996  0.833341  0.666675  1
  Si  Si209  1  0.830821  0.165295  0.998607  1
  Si  Si210  1  0.830900  0.167022  0.335800  1
  Si  Si211  1  0.832778  0.166561  0.666178  1
  Si  Si212  1  0.830858  0.502450  0.000290  1
  Si  Si213  1  0.832973  0.500357  0.333676  1
  Si  Si214  1  0.833126  0.500295  0.666357  1
  Si  Si215  1  0.832693  0.832963  0.999874  1
  Si  Si216  1  0.833099  0.833068  0.333527  1
  Si  Si217  1  0.833072  0.833320  0.666563  1
