# 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  0.083254  0.249921  0.083385  1
  Si  Si2  1  0.257062  0.250018  0.083298  1
  Si  Si3  1  0.250774  0.250184  0.417827  1
  Si  Si4  1  0.250757  0.249804  0.748949  1
  Si  Si5  1  0.250721  0.584427  0.083553  1
  Si  Si6  1  0.250463  0.584671  0.418070  1
  Si  Si7  1  0.250159  0.583577  0.749867  1
  Si  Si8  1  0.250709  0.915532  0.083264  1
  Si  Si9  1  0.250183  0.916573  0.416772  1
  Si  Si10  1  0.250512  0.915241  0.748607  1
  Si  Si11  1  0.583335  0.250109  0.083380  1
  Si  Si12  1  0.583390  0.250018  0.417252  1
  Si  Si13  1  0.583325  0.250081  0.749473  1
  Si  Si14  1  0.583367  0.583916  0.083435  1
  Si  Si15  1  0.583486  0.583576  0.416800  1
  Si  Si16  1  0.583204  0.583516  0.749765  1
  Si  Si17  1  0.583336  0.916148  0.083360  1
  Si  Si18  1  0.583379  0.916528  0.416898  1
  Si  Si19  1  0.583327  0.916432  0.749904  1
  Si  Si20  1  0.909502  0.249952  0.083417  1
  Si  Si21  1  0.915958  0.249849  0.417842  1
  Si  Si22  1  0.915911  0.250172  0.748914  1
  Si  Si23  1  0.915903  0.584435  0.083124  1
  Si  Si24  1  0.916667  0.583542  0.416893  1
  Si  Si25  1  0.916199  0.584703  0.748678  1
  Si  Si26  1  0.915912  0.915559  0.083498  1
  Si  Si27  1  0.916221  0.915235  0.418198  1
  Si  Si28  1  0.916570  0.916517  0.749850  1
  Si  Si29  1  0.998556  0.997498  0.998557  1
  Si  Si30  1  0.000196  0.997509  0.335884  1
  Si  Si31  1  0.999879  0.999409  0.666215  1
  Si  Si32  1  0.991492  0.341729  0.991595  1
  Si  Si33  1  0.998607  0.334781  0.335888  1
  Si  Si34  1  0.999878  0.333461  0.666349  1
  Si  Si35  1  0.999816  0.667006  0.999818  1
  Si  Si36  1  0.999873  0.667147  0.333906  1
  Si  Si37  1  0.999995  0.667286  0.666102  1
  Si  Si38  1  0.335731  0.997511  0.000324  1
  Si  Si39  1  0.333714  0.999782  0.333617  1
  Si  Si40  1  0.333583  0.999737  0.666302  1
  Si  Si41  1  0.335804  0.334792  0.998571  1
  Si  Si42  1  0.335771  0.333068  0.335786  1
  Si  Si43  1  0.333985  0.333502  0.666328  1
  Si  Si44  1  0.333929  0.667146  0.999950  1
  Si  Si45  1  0.333536  0.666969  0.333572  1
  Si  Si46  1  0.333498  0.666749  0.666538  1
  Si  Si47  1  0.666149  0.999449  0.999815  1
  Si  Si48  1  0.666431  0.999831  0.333564  1
  Si  Si49  1  0.666543  0.999771  0.666715  1
  Si  Si50  1  0.666310  0.333509  0.999884  1
  Si  Si51  1  0.666265  0.333548  0.333978  1
  Si  Si52  1  0.665978  0.333446  0.665990  1
  Si  Si53  1  0.665946  0.667357  0.999970  1
  Si  Si54  1  0.666695  0.666748  0.333493  1
  Si  Si55  1  0.666550  0.666750  0.666540  1
  Si  Si56  1  0.250339  0.083050  0.250357  1
  Si  Si57  1  0.250262  0.083114  0.583230  1
  Si  Si58  1  0.257234  0.076016  0.909439  1
  Si  Si59  1  0.257247  0.423903  0.257247  1
  Si  Si60  1  0.250281  0.416894  0.583517  1
  Si  Si61  1  0.250322  0.417024  0.916320  1
  Si  Si62  1  0.250125  0.750067  0.250303  1
  Si  Si63  1  0.250342  0.750038  0.583229  1
  Si  Si64  1  0.250251  0.749970  0.916557  1
  Si  Si65  1  0.583325  0.083172  0.250219  1
  Si  Si66  1  0.583353  0.083043  0.583426  1
  Si  Si67  1  0.583299  0.083183  0.916460  1
  Si  Si68  1  0.583398  0.416910  0.250295  1
  Si  Si69  1  0.583327  0.416988  0.583267  1
  Si  Si70  1  0.583257  0.416948  0.916501  1
  Si  Si71  1  0.583442  0.750053  0.250299  1
  Si  Si72  1  0.583350  0.750122  0.583276  1
  Si  Si73  1  0.583183  0.749981  0.916459  1
  Si  Si74  1  0.909342  0.076034  0.257358  1
  Si  Si75  1  0.916453  0.083169  0.583467  1
  Si  Si76  1  0.916294  0.082990  0.916322  1
  Si  Si77  1  0.916378  0.417020  0.250371  1
  Si  Si78  1  0.916495  0.416926  0.583303  1
  Si  Si79  1  0.909355  0.423911  0.909456  1
  Si  Si80  1  0.916441  0.749955  0.250215  1
  Si  Si81  1  0.916377  0.749950  0.583507  1
  Si  Si82  1  0.916417  0.750069  0.916399  1
  Si  Si83  1  0.991504  0.158151  0.175220  1
  Si  Si84  1  0.999915  0.166588  0.500452  1
  Si  Si85  1  0.998568  0.165192  0.830816  1
  Si  Si86  1  0.998563  0.502492  0.168067  1
  Si  Si87  1  0.999933  0.500601  0.500498  1
  Si  Si88  1  0.000230  0.502427  0.830929  1
  Si  Si89  1  0.999851  0.832968  0.166787  1
  Si  Si90  1  0.999939  0.832603  0.500797  1
  Si  Si91  1  0.999861  0.832881  0.832735  1
  Si  Si92  1  0.335786  0.165277  0.168066  1
  Si  Si93  1  0.334003  0.166517  0.500468  1
  Si  Si94  1  0.335770  0.166884  0.830918  1
  Si  Si95  1  0.335780  0.502444  0.166422  1
  Si  Si96  1  0.333585  0.500220  0.500341  1
  Si  Si97  1  0.333655  0.500364  0.833071  1
  Si  Si98  1  0.333904  0.832897  0.166980  1
  Si  Si99  1  0.333560  0.833307  0.499943  1
  Si  Si100  1  0.333592  0.832982  0.833121  1
  Si  Si101  1  0.666333  0.166599  0.166783  1
  Si  Si102  1  0.666015  0.166622  0.500736  1
  Si  Si103  1  0.666168  0.166552  0.832774  1
  Si  Si104  1  0.666235  0.500600  0.166902  1
  Si  Si105  1  0.666615  0.500199  0.500005  1
  Si  Si106  1  0.666333  0.500240  0.833085  1
  Si  Si107  1  0.666060  0.832720  0.166710  1
  Si  Si108  1  0.666739  0.833296  0.500099  1
  Si  Si109  1  0.666476  0.833223  0.833241  1
  Si  Si110  1  0.083325  0.249998  0.257165  1
  Si  Si111  1  0.083416  0.250007  0.583469  1
  Si  Si112  1  0.083274  0.249956  0.909579  1
  Si  Si113  1  0.083509  0.584408  0.250757  1
  Si  Si114  1  0.083403  0.583873  0.583426  1
  Si  Si115  1  0.083147  0.584439  0.915925  1
  Si  Si116  1  0.083089  0.915557  0.250798  1
  Si  Si117  1  0.083392  0.916103  0.583344  1
  Si  Si118  1  0.083537  0.915517  0.915966  1
  Si  Si119  1  0.417758  0.250200  0.250725  1
  Si  Si120  1  0.417246  0.250001  0.583412  1
  Si  Si121  1  0.417742  0.249832  0.915930  1
  Si  Si122  1  0.418031  0.584718  0.250469  1
  Si  Si123  1  0.416898  0.583604  0.583353  1
  Si  Si124  1  0.416828  0.583539  0.916651  1
  Si  Si125  1  0.416929  0.916560  0.250147  1
  Si  Si126  1  0.416888  0.916489  0.583140  1
  Si  Si127  1  0.417995  0.915257  0.916293  1
  Si  Si128  1  0.748898  0.249817  0.250815  1
  Si  Si129  1  0.749445  0.250078  0.583350  1
  Si  Si130  1  0.748876  0.250193  0.915962  1
  Si  Si131  1  0.749919  0.583560  0.250089  1
  Si  Si132  1  0.749795  0.583503  0.583218  1
  Si  Si133  1  0.748561  0.584709  0.916256  1
  Si  Si134  1  0.748674  0.915285  0.250489  1
  Si  Si135  1  0.749865  0.916481  0.583597  1
  Si  Si136  1  0.749747  0.916524  0.916514  1
  Si  Si137  1  0.168066  0.997506  0.168181  1
  Si  Si138  1  0.166843  0.999419  0.500418  1
  Si  Si139  1  0.166438  0.997464  0.830888  1
  Si  Si140  1  0.175064  0.341780  0.175088  1
  Si  Si141  1  0.166869  0.333458  0.500474  1
  Si  Si142  1  0.168069  0.334727  0.830892  1
  Si  Si143  1  0.166767  0.667007  0.166830  1
  Si  Si144  1  0.166737  0.667295  0.500681  1
  Si  Si145  1  0.166864  0.667157  0.832816  1
  Si  Si146  1  0.500478  0.999484  0.166821  1
  Si  Si147  1  0.500139  0.999858  0.500056  1
  Si  Si148  1  0.500214  0.999776  0.833165  1
  Si  Si149  1  0.500356  0.333519  0.166842  1
  Si  Si150  1  0.500663  0.333357  0.500678  1
  Si  Si151  1  0.500439  0.333541  0.832797  1
  Si  Si152  1  0.500701  0.667356  0.166817  1
  Si  Si153  1  0.500124  0.666833  0.499980  1
  Si  Si154  1  0.500026  0.666666  0.833161  1
  Si  Si155  1  0.830880  0.997543  0.166410  1
  Si  Si156  1  0.833117  0.999763  0.500417  1
  Si  Si157  1  0.832988  0.999702  0.833010  1
  Si  Si158  1  0.830843  0.334762  0.168174  1
  Si  Si159  1  0.832765  0.333563  0.500469  1
  Si  Si160  1  0.830871  0.333058  0.830900  1
  Si  Si161  1  0.832761  0.667173  0.166757  1
  Si  Si162  1  0.833231  0.666690  0.500140  1
  Si  Si163  1  0.833033  0.666950  0.833113  1
  Si  Si164  1  0.083292  0.076168  0.083383  1
  Si  Si165  1  0.083118  0.082604  0.417809  1
  Si  Si166  1  0.083571  0.082543  0.748914  1
  Si  Si167  1  0.083292  0.423757  0.083301  1
  Si  Si168  1  0.083596  0.417380  0.417849  1
  Si  Si169  1  0.083136  0.417390  0.748955  1
  Si  Si170  1  0.083247  0.749901  0.083363  1
  Si  Si171  1  0.083325  0.749989  0.417284  1
  Si  Si172  1  0.083413  0.750010  0.749470  1
  Si  Si173  1  0.417748  0.082615  0.083152  1
  Si  Si174  1  0.416950  0.083269  0.416830  1
  Si  Si175  1  0.418011  0.082863  0.748613  1
  Si  Si176  1  0.417775  0.417420  0.083531  1
  Si  Si177  1  0.418033  0.417085  0.418078  1
  Si  Si178  1  0.416885  0.416868  0.749876  1
  Si  Si179  1  0.417193  0.750009  0.083499  1
  Si  Si180  1  0.416920  0.750170  0.416717  1
  Si  Si181  1  0.416852  0.749821  0.749807  1
  Si  Si182  1  0.748869  0.082580  0.083516  1
  Si  Si183  1  0.748654  0.082888  0.418150  1
  Si  Si184  1  0.749755  0.083239  0.749868  1
  Si  Si185  1  0.748885  0.417401  0.083220  1
  Si  Si186  1  0.749921  0.416879  0.416810  1
  Si  Si187  1  0.748615  0.417112  0.748645  1
  Si  Si188  1  0.749459  0.750064  0.083270  1
  Si  Si189  1  0.749912  0.749835  0.416920  1
  Si  Si190  1  0.749681  0.750081  0.749885  1
  Si  Si191  1  0.175059  0.158182  0.991552  1
  Si  Si192  1  0.168091  0.165252  0.335886  1
  Si  Si193  1  0.166875  0.166497  0.666349  1
  Si  Si194  1  0.168074  0.502494  0.998581  1
  Si  Si195  1  0.166417  0.502420  0.335799  1
  Si  Si196  1  0.166868  0.500588  0.666331  1
  Si  Si197  1  0.166759  0.832937  0.999977  1
  Si  Si198  1  0.166782  0.832917  0.334004  1
  Si  Si199  1  0.166788  0.832650  0.665966  1
  Si  Si200  1  0.500334  0.166625  0.999926  1
  Si  Si201  1  0.500508  0.166583  0.333893  1
  Si  Si202  1  0.500683  0.166619  0.666073  1
  Si  Si203  1  0.500463  0.500645  0.999922  1
  Si  Si204  1  0.500278  0.500250  0.333615  1
  Si  Si205  1  0.500046  0.500212  0.666537  1
  Si  Si206  1  0.500589  0.832675  0.000066  1
  Si  Si207  1  0.500199  0.833363  0.333518  1
  Si  Si208  1  0.500012  0.833259  0.666595  1
  Si  Si209  1  0.830823  0.165228  0.998592  1
  Si  Si210  1  0.830885  0.166946  0.335890  1
  Si  Si211  1  0.832679  0.166538  0.666249  1
  Si  Si212  1  0.830821  0.502434  0.000285  1
  Si  Si213  1  0.833128  0.500397  0.333637  1
  Si  Si214  1  0.833094  0.500233  0.666379  1
  Si  Si215  1  0.832726  0.832934  0.999774  1
  Si  Si216  1  0.833132  0.833015  0.333629  1
  Si  Si217  1  0.833139  0.833236  0.666755  1