# 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  0.083380  0.250028  0.083301  1
  Si  Si2  1  0.257138  0.250059  0.083294  1
  Si  Si3  1  0.250762  0.250172  0.417747  1
  Si  Si4  1  0.250789  0.249781  0.748877  1
  Si  Si5  1  0.250776  0.584463  0.083499  1
  Si  Si6  1  0.250519  0.584709  0.418077  1
  Si  Si7  1  0.250071  0.583469  0.749754  1
  Si  Si8  1  0.250781  0.915530  0.083073  1
  Si  Si9  1  0.250074  0.916477  0.416812  1
  Si  Si10  1  0.250502  0.915296  0.748531  1
  Si  Si11  1  0.583338  0.249967  0.083462  1
  Si  Si12  1  0.583332  0.249982  0.417177  1
  Si  Si13  1  0.583330  0.250067  0.749440  1
  Si  Si14  1  0.583351  0.583975  0.083313  1
  Si  Si15  1  0.583417  0.583604  0.416869  1
  Si  Si16  1  0.583249  0.583444  0.749900  1
  Si  Si17  1  0.583335  0.916178  0.083300  1
  Si  Si18  1  0.583359  0.916414  0.416887  1
  Si  Si19  1  0.583517  0.916442  0.749760  1
  Si  Si20  1  0.909580  0.250014  0.083328  1
  Si  Si21  1  0.915938  0.249860  0.417816  1
  Si  Si22  1  0.915904  0.250138  0.748832  1
  Si  Si23  1  0.915948  0.584425  0.083125  1
  Si  Si24  1  0.916507  0.583492  0.416760  1
  Si  Si25  1  0.916288  0.584740  0.748634  1
  Si  Si26  1  0.916007  0.915619  0.083485  1
  Si  Si27  1  0.916262  0.915234  0.417933  1
  Si  Si28  1  0.916477  0.916542  0.749835  1
  Si  Si29  1  0.998642  0.997562  0.998512  1
  Si  Si30  1  0.000360  0.997523  0.335742  1
  Si  Si31  1  0.999777  0.999424  0.666183  1
  Si  Si32  1  0.991557  0.341810  0.991517  1
  Si  Si33  1  0.998584  0.334772  0.335825  1
  Si  Si34  1  0.999864  0.333453  0.666290  1
  Si  Si35  1  0.999907  0.667072  0.999916  1
  Si  Si36  1  0.999820  0.667104  0.333862  1
  Si  Si37  1  0.999997  0.667329  0.665943  1
  Si  Si38  1  0.335816  0.997547  0.000185  1
  Si  Si39  1  0.333620  0.999684  0.333617  1
  Si  Si40  1  0.333649  0.999784  0.666293  1
  Si  Si41  1  0.335827  0.334838  0.998565  1
  Si  Si42  1  0.335796  0.333095  0.335774  1
  Si  Si43  1  0.333997  0.333432  0.666200  1
  Si  Si44  1  0.333906  0.667166  0.999800  1
  Si  Si45  1  0.333656  0.666993  0.333619  1
  Si  Si46  1  0.333488  0.666702  0.666601  1
  Si  Si47  1  0.666181  0.999530  0.999846  1
  Si  Si48  1  0.666407  0.999739  0.333549  1
  Si  Si49  1  0.666702  0.999759  0.666554  1
  Si  Si50  1  0.666282  0.333418  0.999933  1
  Si  Si51  1  0.666213  0.333477  0.333884  1
  Si  Si52  1  0.666020  0.333413  0.665974  1
  Si  Si53  1  0.666021  0.667401  0.999921  1
  Si  Si54  1  0.666566  0.666750  0.333454  1
  Si  Si55  1  0.666695  0.666645  0.666731  1
  Si  Si56  1  0.250369  0.083015  0.250316  1
  Si  Si57  1  0.250271  0.083120  0.583215  1
  Si  Si58  1  0.257292  0.076065  0.909329  1
  Si  Si59  1  0.257300  0.424013  0.257288  1
  Si  Si60  1  0.250298  0.416788  0.583348  1
  Si  Si61  1  0.250342  0.417050  0.916292  1
  Si  Si62  1  0.250312  0.750022  0.250218  1
  Si  Si63  1  0.250321  0.750064  0.583335  1
  Si  Si64  1  0.250191  0.749941  0.916370  1
  Si  Si65  1  0.583276  0.083105  0.250255  1
  Si  Si66  1  0.583474  0.083039  0.583310  1
  Si  Si67  1  0.583341  0.083188  0.916413  1
  Si  Si68  1  0.583452  0.416937  0.250177  1
  Si  Si69  1  0.583396  0.417012  0.583310  1
  Si  Si70  1  0.583264  0.416891  0.916556  1
  Si  Si71  1  0.583343  0.750133  0.250286  1
  Si  Si72  1  0.583432  0.749877  0.583472  1
  Si  Si73  1  0.583348  0.750050  0.916345  1
  Si  Si74  1  0.909476  0.076065  0.257273  1
  Si  Si75  1  0.916389  0.083103  0.583340  1
  Si  Si76  1  0.916342  0.083036  0.916301  1
  Si  Si77  1  0.916324  0.417010  0.250346  1
  Si  Si78  1  0.916495  0.416934  0.583252  1
  Si  Si79  1  0.909412  0.423939  0.909324  1
  Si  Si80  1  0.916453  0.749936  0.250132  1
  Si  Si81  1  0.916432  0.749993  0.583279  1
  Si  Si82  1  0.916486  0.750144  0.916510  1
  Si  Si83  1  0.991609  0.158213  0.175104  1
  Si  Si84  1  0.999867  0.166553  0.500391  1
  Si  Si85  1  0.998594  0.165248  0.830790  1
  Si  Si86  1  0.998581  0.502484  0.168095  1
  Si  Si87  1  0.999853  0.500623  0.500381  1
  Si  Si88  1  0.000331  0.502455  0.830865  1
  Si  Si89  1  0.999912  0.833008  0.166778  1
  Si  Si90  1  0.999995  0.832651  0.500584  1
  Si  Si91  1  0.999812  0.832950  0.832724  1
  Si  Si92  1  0.335825  0.165274  0.168053  1
  Si  Si93  1  0.333986  0.166496  0.500383  1
  Si  Si94  1  0.335864  0.166929  0.830847  1
  Si  Si95  1  0.335826  0.502525  0.166425  1
  Si  Si96  1  0.333642  0.500202  0.500314  1
  Si  Si97  1  0.333640  0.500321  0.832987  1
  Si  Si98  1  0.333960  0.832897  0.166797  1
  Si  Si99  1  0.333523  0.833363  0.500064  1
  Si  Si100  1  0.333575  0.833013  0.833039  1
  Si  Si101  1  0.666343  0.166515  0.166870  1
  Si  Si102  1  0.666066  0.166629  0.500591  1
  Si  Si103  1  0.666190  0.166555  0.832733  1
  Si  Si104  1  0.666242  0.500624  0.166750  1
  Si  Si105  1  0.666638  0.500248  0.500037  1
  Si  Si106  1  0.666410  0.500155  0.833191  1
  Si  Si107  1  0.666028  0.832744  0.166676  1
  Si  Si108  1  0.666656  0.833115  0.500101  1
  Si  Si109  1  0.666665  0.833306  0.833171  1
  Si  Si110  1  0.083363  0.250036  0.257101  1
  Si  Si111  1  0.083363  0.249934  0.583425  1
  Si  Si112  1  0.083338  0.250020  0.909500  1
  Si  Si113  1  0.083531  0.584406  0.250760  1
  Si  Si114  1  0.083389  0.583875  0.583280  1
  Si  Si115  1  0.083155  0.584484  0.915928  1
  Si  Si116  1  0.083245  0.915552  0.250698  1
  Si  Si117  1  0.083298  0.916150  0.583284  1
  Si  Si118  1  0.083553  0.915548  0.915892  1
  Si  Si119  1  0.417764  0.250208  0.250725  1
  Si  Si120  1  0.417292  0.249987  0.583263  1
  Si  Si121  1  0.417768  0.249855  0.915945  1
  Si  Si122  1  0.418120  0.584779  0.250446  1
  Si  Si123  1  0.416881  0.583496  0.583499  1
  Si  Si124  1  0.416814  0.583528  0.916542  1
  Si  Si125  1  0.416860  0.916528  0.250102  1
  Si  Si126  1  0.416986  0.916496  0.583200  1
  Si  Si127  1  0.418070  0.915312  0.916110  1
  Si  Si128  1  0.748945  0.249804  0.250767  1
  Si  Si129  1  0.749450  0.250039  0.583285  1
  Si  Si130  1  0.748882  0.250191  0.915938  1
  Si  Si131  1  0.749792  0.583544  0.250056  1
  Si  Si132  1  0.749903  0.583544  0.583235  1
  Si  Si133  1  0.748643  0.584721  0.916246  1
  Si  Si134  1  0.748691  0.915307  0.250401  1
  Si  Si135  1  0.749912  0.916358  0.583399  1
  Si  Si136  1  0.749780  0.916582  0.916593  1
  Si  Si137  1  0.168177  0.997512  0.168031  1
  Si  Si138  1  0.166817  0.999444  0.500416  1
  Si  Si139  1  0.166438  0.997517  0.830818  1
  Si  Si140  1  0.175149  0.341843  0.175116  1
  Si  Si141  1  0.166802  0.333385  0.500379  1
  Si  Si142  1  0.168139  0.334754  0.830809  1
  Si  Si143  1  0.166861  0.666981  0.166853  1
  Si  Si144  1  0.166781  0.667351  0.500665  1
  Si  Si145  1  0.166800  0.667119  0.832669  1
  Si  Si146  1  0.500448  0.999459  0.166805  1
  Si  Si147  1  0.500200  0.999828  0.500030  1
  Si  Si148  1  0.500370  0.999774  0.833015  1
  Si  Si149  1  0.500365  0.333502  0.166829  1
  Si  Si150  1  0.500739  0.333413  0.500631  1
  Si  Si151  1  0.500468  0.333521  0.832798  1
  Si  Si152  1  0.500700  0.667440  0.166697  1
  Si  Si153  1  0.500069  0.666772  0.500147  1
  Si  Si154  1  0.500090  0.666694  0.833195  1
  Si  Si155  1  0.830952  0.997584  0.166378  1
  Si  Si156  1  0.833144  0.999677  0.500238  1
  Si  Si157  1  0.832985  0.999753  0.833053  1
  Si  Si158  1  0.830862  0.334752  0.168100  1
  Si  Si159  1  0.832745  0.333569  0.500443  1
  Si  Si160  1  0.830901  0.333026  0.830860  1
  Si  Si161  1  0.832744  0.667118  0.166761  1
  Si  Si162  1  0.833211  0.666715  0.500022  1
  Si  Si163  1  0.833193  0.666974  0.833181  1
  Si  Si164  1  0.083414  0.076229  0.083287  1
  Si  Si165  1  0.083140  0.082633  0.417769  1
  Si  Si166  1  0.083510  0.082547  0.748862  1
  Si  Si167  1  0.083351  0.423807  0.083314  1
  Si  Si168  1  0.083549  0.417379  0.417794  1
  Si  Si169  1  0.083177  0.417386  0.748856  1
  Si  Si170  1  0.083412  0.749972  0.083431  1
  Si  Si171  1  0.083361  0.749925  0.417175  1
  Si  Si172  1  0.083295  0.750058  0.749421  1
  Si  Si173  1  0.417753  0.082601  0.083118  1
  Si  Si174  1  0.416881  0.083136  0.416820  1
  Si  Si175  1  0.418116  0.082904  0.748551  1
  Si  Si176  1  0.417775  0.417445  0.083549  1
  Si  Si177  1  0.418122  0.417130  0.417995  1
  Si  Si178  1  0.416864  0.416763  0.749841  1
  Si  Si179  1  0.417233  0.750050  0.083271  1
  Si  Si180  1  0.416887  0.750186  0.416911  1
  Si  Si181  1  0.416878  0.749809  0.749815  1
  Si  Si182  1  0.748915  0.082623  0.083531  1
  Si  Si183  1  0.748684  0.082844  0.418014  1
  Si  Si184  1  0.749778  0.083223  0.749822  1
  Si  Si185  1  0.748916  0.417383  0.083135  1
  Si  Si186  1  0.749781  0.416807  0.416816  1
  Si  Si187  1  0.748660  0.417097  0.748627  1
  Si  Si188  1  0.749461  0.750055  0.083302  1
  Si  Si189  1  0.749838  0.749799  0.416806  1
  Si  Si190  1  0.749908  0.750108  0.749879  1
  Si  Si191  1  0.175176  0.158237  0.991469  1
  Si  Si192  1  0.168104  0.165250  0.335796  1
  Si  Si193  1  0.166857  0.166470  0.666320  1
  Si  Si194  1  0.168113  0.502529  0.998563  1
  Si  Si195  1  0.166419  0.502466  0.335843  1
  Si  Si196  1  0.166856  0.500506  0.666129  1
  Si  Si197  1  0.166788  0.832931  0.999849  1
  Si  Si198  1  0.166861  0.832812  0.333883  1
  Si  Si199  1  0.166684  0.832718  0.665954  1
  Si  Si200  1  0.500350  0.166586  0.999902  1
  Si  Si201  1  0.500416  0.166500  0.333902  1
  Si  Si202  1  0.500759  0.166631  0.665939  1
  Si  Si203  1  0.500427  0.500655  0.999881  1
  Si  Si204  1  0.500375  0.500274  0.333543  1
  Si  Si205  1  0.500098  0.500142  0.666646  1
  Si  Si206  1  0.500677  0.832737  0.999899  1
  Si  Si207  1  0.500070  0.833352  0.333532  1
  Si  Si208  1  0.500100  0.833204  0.666615  1
  Si  Si209  1  0.830867  0.165267  0.998579  1
  Si  Si210  1  0.830958  0.166934  0.335805  1
  Si  Si211  1  0.832680  0.166485  0.666170  1
  Si  Si212  1  0.830911  0.502425  0.000245  1
  Si  Si213  1  0.832966  0.500303  0.333587  1
  Si  Si214  1  0.833157  0.500237  0.666394  1
  Si  Si215  1  0.832754  0.832982  0.999854  1
  Si  Si216  1  0.833102  0.832971  0.333509  1
  Si  Si217  1  0.833223  0.833216  0.666612  1
