# generated using pymatgen
data_TlSi215
_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   TlSi215
_chemical_formula_sum   'Tl1 Si215'
_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  0.250000  0.250000  0.083332  1
  Si  Si2  1  0.250000  0.250000  0.416438  1
  Si  Si3  1  0.250001  0.249999  0.750248  1
  Si  Si4  1  0.250001  0.583094  0.083334  1
  Si  Si5  1  0.250019  0.584548  0.417887  1
  Si  Si6  1  0.249991  0.584576  0.748763  1
  Si  Si7  1  0.250000  0.916905  0.083334  1
  Si  Si8  1  0.249983  0.915451  0.417887  1
  Si  Si9  1  0.250012  0.915427  0.748766  1
  Si  Si10  1  0.583095  0.250000  0.083334  1
  Si  Si11  1  0.584549  0.250017  0.417887  1
  Si  Si12  1  0.584573  0.249988  0.748766  1
  Si  Si13  1  0.584558  0.584557  0.083350  1
  Si  Si14  1  0.583192  0.583192  0.416526  1
  Si  Si15  1  0.583292  0.583292  0.750043  1
  Si  Si16  1  0.584565  0.915435  0.083322  1
  Si  Si17  1  0.583293  0.916707  0.416625  1
  Si  Si18  1  0.583192  0.916808  0.750142  1
  Si  Si19  1  0.916906  0.249999  0.083334  1
  Si  Si20  1  0.915452  0.249981  0.417887  1
  Si  Si21  1  0.915424  0.250009  0.748763  1
  Si  Si22  1  0.915436  0.584564  0.083322  1
  Si  Si23  1  0.916708  0.583292  0.416625  1
  Si  Si24  1  0.916809  0.583191  0.750143  1
  Si  Si25  1  0.915443  0.915442  0.083350  1
  Si  Si26  1  0.916808  0.916808  0.416526  1
  Si  Si27  1  0.916708  0.916708  0.750043  1
  Si  Si28  1  -0.001759  -0.001759  0.000335  1
  Si  Si29  1  0.000185  0.000184  0.333158  1
  Si  Si30  1  -0.000047  -0.000045  0.666634  1
  Si  Si31  1  0.000615  0.333102  0.000233  1
  Si  Si32  1  -0.001750  0.332999  0.335091  1
  Si  Si33  1  0.000005  0.333390  0.666648  1
  Si  Si34  1  0.000015  0.666695  -0.000042  1
  Si  Si35  1  -0.000054  0.666700  0.333372  1
  Si  Si36  1  -0.000053  0.666586  0.666758  1
  Si  Si37  1  0.333103  0.000614  0.000233  1
  Si  Si38  1  0.332999  -0.001750  0.335091  1
  Si  Si39  1  0.333391  0.000005  0.666648  1
  Si  Si40  1  0.339683  0.339682  -0.006349  1
  Si  Si41  1  0.333100  0.333099  0.332723  1
  Si  Si42  1  0.333345  0.333344  0.666824  1
  Si  Si43  1  0.333348  0.666529  -0.000001  1
  Si  Si44  1  0.333388  0.666692  0.333324  1
  Si  Si45  1  0.333512  0.667278  0.666045  1
  Si  Si46  1  0.666696  0.000015  -0.000042  1
  Si  Si47  1  0.666701  -0.000052  0.333374  1
  Si  Si48  1  0.666587  -0.000053  0.666758  1
  Si  Si49  1  0.666529  0.333347  -0.000001  1
  Si  Si50  1  0.666693  0.333388  0.333325  1
  Si  Si51  1  0.667268  0.333524  0.666056  1
  Si  Si52  1  0.667232  0.667231  -0.000235  1
  Si  Si53  1  0.666585  0.666584  0.333390  1
  Si  Si54  1  0.666658  0.666657  0.666677  1
  Si  Si55  1  0.251197  0.081397  0.251939  1
  Si  Si56  1  0.250002  0.083441  0.583357  1
  Si  Si57  1  0.248805  0.081392  0.914728  1
  Si  Si58  1  0.248804  0.418602  0.251939  1
  Si  Si59  1  0.249999  0.416558  0.583357  1
  Si  Si60  1  0.251196  0.418607  0.914728  1
  Si  Si61  1  0.250000  0.750000  0.249895  1
  Si  Si62  1  0.249980  0.750005  0.583230  1
  Si  Si63  1  0.250000  0.750000  0.916785  1
  Si  Si64  1  0.583381  0.083182  0.250167  1
  Si  Si65  1  0.583274  0.083171  0.583418  1
  Si  Si66  1  0.582990  0.083659  0.916998  1
  Si  Si67  1  0.582984  0.416339  0.249677  1
  Si  Si68  1  0.583275  0.416823  0.583254  1
  Si  Si69  1  0.583397  0.416821  0.916515  1
  Si  Si70  1  0.583293  0.749918  0.250152  1
  Si  Si71  1  0.583236  0.749999  0.583335  1
  Si  Si72  1  0.583262  0.750088  0.916502  1
  Si  Si73  1  0.917017  0.083660  0.249677  1
  Si  Si74  1  0.916722  0.083181  0.583256  1
  Si  Si75  1  0.916603  0.083178  0.916515  1
  Si  Si76  1  0.916620  0.416817  0.250167  1
  Si  Si77  1  0.916729  0.416830  0.583419  1
  Si  Si78  1  0.917010  0.416340  0.916997  1
  Si  Si79  1  0.916708  0.750081  0.250152  1
  Si  Si80  1  0.916764  0.750000  0.583335  1
  Si  Si81  1  0.916739  0.749911  0.916502  1
  Si  Si82  1  0.000617  0.166898  0.166436  1
  Si  Si83  1  0.000016  0.166616  0.500037  1
  Si  Si84  1  -0.001767  0.167002  0.831574  1
  Si  Si85  1  -0.001758  0.501758  0.166334  1
  Si  Si86  1  -0.000045  0.500045  0.500033  1
  Si  Si87  1  0.000179  0.499821  0.833521  1
  Si  Si88  1  0.000007  0.833309  0.166730  1
  Si  Si89  1  -0.000055  0.833422  0.499919  1
  Si  Si90  1  -0.000039  0.833298  0.833283  1
  Si  Si91  1  0.339681  0.160319  0.173015  1
  Si  Si92  1  0.333342  0.166658  0.499879  1
  Si  Si93  1  0.333104  0.166896  0.833953  1
  Si  Si94  1  0.333102  0.499383  0.166436  1
  Si  Si95  1  0.333384  0.499984  0.500037  1
  Si  Si96  1  0.332998  0.501767  0.831574  1
  Si  Si97  1  0.333340  0.833480  0.166685  1
  Si  Si98  1  0.333553  0.832767  0.500556  1
  Si  Si99  1  0.333384  0.833305  0.833349  1
  Si  Si100  1  0.666520  0.166660  0.166685  1
  Si  Si101  1  0.667233  0.166447  0.500556  1
  Si  Si102  1  0.666695  0.166616  0.833349  1
  Si  Si103  1  0.666691  0.499993  0.166730  1
  Si  Si104  1  0.666578  0.500055  0.499919  1
  Si  Si105  1  0.666702  0.500039  0.833283  1
  Si  Si106  1  0.667273  0.832727  0.166842  1
  Si  Si107  1  0.666658  0.833342  0.499993  1
  Si  Si108  1  0.666580  0.833420  0.833282  1
  Si  Si109  1  0.081398  0.251196  0.251939  1
  Si  Si110  1  0.083442  0.250001  0.583357  1
  Si  Si111  1  0.081393  0.248804  0.914728  1
  Si  Si112  1  0.083183  0.583380  0.250167  1
  Si  Si113  1  0.083170  0.583271  0.583419  1
  Si  Si114  1  0.083660  0.582990  0.916997  1
  Si  Si115  1  0.083661  0.917016  0.249677  1
  Si  Si116  1  0.083177  0.916725  0.583254  1
  Si  Si117  1  0.083179  0.916603  0.916515  1
  Si  Si118  1  0.418603  0.248803  0.251939  1
  Si  Si119  1  0.416559  0.249998  0.583357  1
  Si  Si120  1  0.418608  0.251195  0.914728  1
  Si  Si121  1  0.416340  0.582983  0.249677  1
  Si  Si122  1  0.416819  0.583278  0.583256  1
  Si  Si123  1  0.416822  0.583397  0.916515  1
  Si  Si124  1  0.416818  0.916619  0.250167  1
  Si  Si125  1  0.416829  0.916726  0.583418  1
  Si  Si126  1  0.416341  0.917010  0.916998  1
  Si  Si127  1  0.750000  0.250000  0.249895  1
  Si  Si128  1  0.749995  0.250020  0.583230  1
  Si  Si129  1  0.750000  0.250000  0.916785  1
  Si  Si130  1  0.749919  0.583292  0.250152  1
  Si  Si131  1  0.750000  0.583236  0.583335  1
  Si  Si132  1  0.750089  0.583261  0.916502  1
  Si  Si133  1  0.750082  0.916707  0.250152  1
  Si  Si134  1  0.750001  0.916764  0.583335  1
  Si  Si135  1  0.749912  0.916738  0.916502  1
  Si  Si136  1  0.166899  0.000617  0.166436  1
  Si  Si137  1  0.166617  0.000015  0.500036  1
  Si  Si138  1  0.167003  -0.001767  0.831574  1
  Si  Si139  1  0.160320  0.339680  0.173015  1
  Si  Si140  1  0.166658  0.333342  0.499879  1
  Si  Si141  1  0.166897  0.333103  0.833953  1
  Si  Si142  1  0.166660  0.666519  0.166685  1
  Si  Si143  1  0.166438  0.667228  0.500551  1
  Si  Si144  1  0.166617  0.666694  0.833348  1
  Si  Si145  1  0.501759  -0.001759  0.166334  1
  Si  Si146  1  0.500046  -0.000046  0.500033  1
  Si  Si147  1  0.499822  0.000178  0.833521  1
  Si  Si148  1  0.499383  0.333101  0.166436  1
  Si  Si149  1  0.499985  0.333383  0.500036  1
  Si  Si150  1  0.501767  0.332997  0.831574  1
  Si  Si151  1  0.499994  0.666690  0.166730  1
  Si  Si152  1  0.500055  0.666576  0.499919  1
  Si  Si153  1  0.500038  0.666702  0.833281  1
  Si  Si154  1  0.833310  0.000006  0.166730  1
  Si  Si155  1  0.833424  -0.000055  0.499919  1
  Si  Si156  1  0.833298  -0.000038  0.833281  1
  Si  Si157  1  0.833481  0.333340  0.166685  1
  Si  Si158  1  0.832772  0.333562  0.500551  1
  Si  Si159  1  0.833306  0.333383  0.833348  1
  Si  Si160  1  0.832727  0.667273  0.166841  1
  Si  Si161  1  0.833343  0.666657  0.499993  1
  Si  Si162  1  0.833421  0.666579  0.833282  1
  Si  Si163  1  0.081395  0.081395  0.082137  1
  Si  Si164  1  0.083665  0.083664  0.416330  1
  Si  Si165  1  0.083173  0.083173  0.749957  1
  Si  Si166  1  0.081396  0.418604  0.084530  1
  Si  Si167  1  0.083183  0.416817  0.416733  1
  Si  Si168  1  0.083657  0.416343  0.750352  1
  Si  Si169  1  0.083442  0.749999  0.083357  1
  Si  Si170  1  0.083163  0.750085  0.416598  1
  Si  Si171  1  0.083187  0.749917  0.750054  1
  Si  Si172  1  0.418605  0.081395  0.084531  1
  Si  Si173  1  0.416818  0.083182  0.416733  1
  Si  Si174  1  0.416344  0.083656  0.750353  1
  Si  Si175  1  0.418605  0.418605  0.082137  1
  Si  Si176  1  0.416336  0.416335  0.416330  1
  Si  Si177  1  0.416827  0.416827  0.749957  1
  Si  Si178  1  0.416558  0.750000  0.083357  1
  Si  Si179  1  0.416835  0.749915  0.416601  1
  Si  Si180  1  0.416810  0.750082  0.750050  1
  Si  Si181  1  0.750000  0.083442  0.083357  1
  Si  Si182  1  0.750085  0.083165  0.416601  1
  Si  Si183  1  0.749918  0.083190  0.750050  1
  Si  Si184  1  0.750001  0.416558  0.083357  1
  Si  Si185  1  0.749915  0.416837  0.416598  1
  Si  Si186  1  0.750083  0.416813  0.750054  1
  Si  Si187  1  0.750000  0.750000  0.083230  1
  Si  Si188  1  0.750000  0.750000  0.416575  1
  Si  Si189  1  0.750000  0.750000  0.750099  1
  Si  Si190  1  0.160318  0.160317  -0.006349  1
  Si  Si191  1  0.166901  0.166900  0.332723  1
  Si  Si192  1  0.166656  0.166655  0.666824  1
  Si  Si193  1  0.166898  0.499385  0.000233  1
  Si  Si194  1  0.167001  0.501750  0.335091  1
  Si  Si195  1  0.166610  0.499995  0.666648  1
  Si  Si196  1  0.166653  0.833471  -0.000001  1
  Si  Si197  1  0.166612  0.833307  0.333325  1
  Si  Si198  1  0.166476  0.832732  0.666056  1
  Si  Si199  1  0.499386  0.166897  0.000233  1
  Si  Si200  1  0.501750  0.167001  0.335091  1
  Si  Si201  1  0.499995  0.166609  0.666648  1
  Si  Si202  1  0.501759  0.501759  0.000335  1
  Si  Si203  1  0.499816  0.499815  0.333158  1
  Si  Si204  1  0.500045  0.500047  0.666634  1
  Si  Si205  1  0.499985  0.833304  -0.000042  1
  Si  Si206  1  0.500052  0.833299  0.333374  1
  Si  Si207  1  0.500053  0.833413  0.666758  1
  Si  Si208  1  0.833471  0.166652  -0.000001  1
  Si  Si209  1  0.833308  0.166612  0.333324  1
  Si  Si210  1  0.832722  0.166488  0.666045  1
  Si  Si211  1  0.833305  0.499985  -0.000042  1
  Si  Si212  1  0.833300  0.500054  0.333372  1
  Si  Si213  1  0.833414  0.500053  0.666758  1
  Si  Si214  1  0.832769  0.832768  -0.000235  1
  Si  Si215  1  0.833416  0.833415  0.333390  1
  Si  Si216  1  0.833343  0.833342  0.666677  1
