# 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  0.250057  0.250021  0.083294  1
  Si  Si2  1  0.249934  0.250037  0.416761  1
  Si  Si3  1  0.249983  0.250000  0.749858  1
  Si  Si4  1  0.250066  0.583372  0.083400  1
  Si  Si5  1  0.250127  0.584518  0.417841  1
  Si  Si6  1  0.249909  0.584560  0.748792  1
  Si  Si7  1  0.249991  0.916529  0.083252  1
  Si  Si8  1  0.249909  0.915577  0.417827  1
  Si  Si9  1  0.250112  0.915445  0.748734  1
  Si  Si10  1  0.583396  0.249847  0.083314  1
  Si  Si11  1  0.584538  0.250078  0.417810  1
  Si  Si12  1  0.584522  0.249797  0.748779  1
  Si  Si13  1  0.584542  0.584486  0.083453  1
  Si  Si14  1  0.583152  0.583310  0.416540  1
  Si  Si15  1  0.583232  0.583151  0.750094  1
  Si  Si16  1  0.584524  0.915396  0.083137  1
  Si  Si17  1  0.583248  0.916696  0.416548  1
  Si  Si18  1  0.583395  0.916685  0.750137  1
  Si  Si19  1  0.916550  0.249984  0.083234  1
  Si  Si20  1  0.915429  0.249862  0.417848  1
  Si  Si21  1  0.915516  0.250179  0.748848  1
  Si  Si22  1  0.915480  0.584480  0.083280  1
  Si  Si23  1  0.916751  0.583217  0.416547  1
  Si  Si24  1  0.916749  0.583165  0.750011  1
  Si  Si25  1  0.915570  0.915477  0.083499  1
  Si  Si26  1  0.916799  0.916844  0.416579  1
  Si  Si27  1  0.916832  0.916663  0.750083  1
  Si  Si28  1  0.998339  0.998224  0.000201  1
  Si  Si29  1  0.000173  0.000249  0.333221  1
  Si  Si30  1  0.999931  0.999960  0.666607  1
  Si  Si31  1  0.000288  0.333130  0.000203  1
  Si  Si32  1  0.998211  0.333108  0.335109  1
  Si  Si33  1  0.000009  0.333462  0.666664  1
  Si  Si34  1  0.000044  0.666669  0.000086  1
  Si  Si35  1  0.999998  0.666723  0.333405  1
  Si  Si36  1  0.999923  0.666542  0.666654  1
  Si  Si37  1  0.333075  0.000252  0.000147  1
  Si  Si38  1  0.333178  0.998239  0.334988  1
  Si  Si39  1  0.333457  0.999912  0.666586  1
  Si  Si40  1  0.340068  0.340003  0.993289  1
  Si  Si41  1  0.333077  0.333108  0.333042  1
  Si  Si42  1  0.333369  0.333331  0.666571  1
  Si  Si43  1  0.333348  0.666604  0.999886  1
  Si  Si44  1  0.333359  0.666734  0.333359  1
  Si  Si45  1  0.333539  0.667259  0.666083  1
  Si  Si46  1  0.666779  0.999842  0.999895  1
  Si  Si47  1  0.666691  0.999910  0.333328  1
  Si  Si48  1  0.666706  0.999902  0.666735  1
  Si  Si49  1  0.666715  0.333199  0.999943  1
  Si  Si50  1  0.666717  0.333341  0.333287  1
  Si  Si51  1  0.667166  0.333483  0.666080  1
  Si  Si52  1  0.667257  0.667188  0.999829  1
  Si  Si53  1  0.666546  0.666554  0.333271  1
  Si  Si54  1  0.666662  0.666518  0.666747  1
  Si  Si55  1  0.250800  0.081382  0.252002  1
  Si  Si56  1  0.250087  0.083249  0.583328  1
  Si  Si57  1  0.249204  0.081332  0.914584  1
  Si  Si58  1  0.249159  0.418647  0.252004  1
  Si  Si59  1  0.250086  0.416794  0.583325  1
  Si  Si60  1  0.250846  0.418711  0.914710  1
  Si  Si61  1  0.250086  0.750071  0.250015  1
  Si  Si62  1  0.250002  0.750155  0.583307  1
  Si  Si63  1  0.249951  0.749873  0.916548  1
  Si  Si64  1  0.583414  0.083160  0.250002  1
  Si  Si65  1  0.583500  0.083179  0.583341  1
  Si  Si66  1  0.583095  0.083411  0.916886  1
  Si  Si67  1  0.583152  0.416464  0.249756  1
  Si  Si68  1  0.583180  0.416713  0.583315  1
  Si  Si69  1  0.583518  0.416632  0.916600  1
  Si  Si70  1  0.583216  0.749944  0.250096  1
  Si  Si71  1  0.583362  0.749903  0.583394  1
  Si  Si72  1  0.583470  0.750042  0.916515  1
  Si  Si73  1  0.916894  0.083550  0.249729  1
  Si  Si74  1  0.916611  0.083292  0.583437  1
  Si  Si75  1  0.916708  0.083266  0.916593  1
  Si  Si76  1  0.916441  0.416686  0.250149  1
  Si  Si77  1  0.916729  0.416814  0.583295  1
  Si  Si78  1  0.916863  0.416507  0.916872  1
  Si  Si79  1  0.916736  0.750134  0.250253  1
  Si  Si80  1  0.916735  0.749952  0.583183  1
  Si  Si81  1  0.916791  0.749860  0.916632  1
  Si  Si82  1  0.000293  0.166903  0.166345  1
  Si  Si83  1  0.999923  0.166730  0.500184  1
  Si  Si84  1  0.998302  0.166917  0.831587  1
  Si  Si85  1  0.998174  0.501673  0.166560  1
  Si  Si86  1  0.999992  0.500049  0.500006  1
  Si  Si87  1  0.000160  0.499900  0.833487  1
  Si  Si88  1  0.000060  0.833331  0.166814  1
  Si  Si89  1  0.000006  0.833418  0.499833  1
  Si  Si90  1  0.999992  0.833233  0.833349  1
  Si  Si91  1  0.340011  0.160008  0.173322  1
  Si  Si92  1  0.333349  0.166582  0.499958  1
  Si  Si93  1  0.333129  0.166891  0.833561  1
  Si  Si94  1  0.333133  0.499636  0.166465  1
  Si  Si95  1  0.333436  0.500061  0.500024  1
  Si  Si96  1  0.333167  0.501773  0.831574  1
  Si  Si97  1  0.333415  0.833248  0.166572  1
  Si  Si98  1  0.333572  0.832944  0.500554  1
  Si  Si99  1  0.333318  0.833182  0.833231  1
  Si  Si100  1  0.666708  0.166498  0.166647  1
  Si  Si101  1  0.667307  0.166442  0.500424  1
  Si  Si102  1  0.666685  0.166483  0.833281  1
  Si  Si103  1  0.666778  0.499966  0.166636  1
  Si  Si104  1  0.666398  0.500031  0.499936  1
  Si  Si105  1  0.666732  0.499962  0.833275  1
  Si  Si106  1  0.667173  0.832732  0.166862  1
  Si  Si107  1  0.666645  0.833310  0.499959  1
  Si  Si108  1  0.666771  0.833365  0.833292  1
  Si  Si109  1  0.081281  0.250822  0.251950  1
  Si  Si110  1  0.083354  0.250074  0.583456  1
  Si  Si111  1  0.081390  0.249252  0.914660  1
  Si  Si112  1  0.083224  0.583388  0.250143  1
  Si  Si113  1  0.083221  0.583322  0.583297  1
  Si  Si114  1  0.083558  0.583134  0.916917  1
  Si  Si115  1  0.083596  0.916975  0.249868  1
  Si  Si116  1  0.083158  0.916763  0.583215  1
  Si  Si117  1  0.083348  0.916473  0.916623  1
  Si  Si118  1  0.418665  0.249180  0.252014  1
  Si  Si119  1  0.416649  0.249859  0.583301  1
  Si  Si120  1  0.418681  0.250757  0.914650  1
  Si  Si121  1  0.416432  0.583100  0.249826  1
  Si  Si122  1  0.416833  0.583326  0.583319  1
  Si  Si123  1  0.416864  0.583373  0.916591  1
  Si  Si124  1  0.416764  0.916501  0.249953  1
  Si  Si125  1  0.416967  0.916655  0.583405  1
  Si  Si126  1  0.416395  0.916754  0.916814  1
  Si  Si127  1  0.749982  0.249932  0.249899  1
  Si  Si128  1  0.750034  0.250038  0.583219  1
  Si  Si129  1  0.749976  0.249813  0.916605  1
  Si  Si130  1  0.750008  0.583293  0.250057  1
  Si  Si131  1  0.749937  0.583121  0.583338  1
  Si  Si132  1  0.750013  0.583327  0.916475  1
  Si  Si133  1  0.750011  0.916556  0.250176  1
  Si  Si134  1  0.750115  0.916612  0.583327  1
  Si  Si135  1  0.750168  0.916604  0.916536  1
  Si  Si136  1  0.166952  0.000301  0.166415  1
  Si  Si137  1  0.166627  0.000049  0.500025  1
  Si  Si138  1  0.166873  0.998205  0.831547  1
  Si  Si139  1  0.160001  0.339964  0.173318  1
  Si  Si140  1  0.166675  0.333410  0.500136  1
  Si  Si141  1  0.166958  0.333158  0.833622  1
  Si  Si142  1  0.166699  0.666653  0.166804  1
  Si  Si143  1  0.166520  0.667241  0.500536  1
  Si  Si144  1  0.166548  0.666690  0.833228  1
  Si  Si145  1  0.501759  0.998175  0.166368  1
  Si  Si146  1  0.500153  0.999966  0.500064  1
  Si  Si147  1  0.499863  0.000027  0.833462  1
  Si  Si148  1  0.499746  0.333050  0.166424  1
  Si  Si149  1  0.499977  0.333266  0.500047  1
  Si  Si150  1  0.501802  0.333063  0.831577  1
  Si  Si151  1  0.499983  0.666652  0.166686  1
  Si  Si152  1  0.499992  0.666644  0.499947  1
  Si  Si153  1  0.500135  0.666697  0.833330  1
  Si  Si154  1  0.833286  0.999867  0.166768  1
  Si  Si155  1  0.833458  0.999985  0.499968  1
  Si  Si156  1  0.833440  0.999944  0.833306  1
  Si  Si157  1  0.833289  0.333335  0.166641  1
  Si  Si158  1  0.832782  0.333630  0.500456  1
  Si  Si159  1  0.833263  0.333322  0.833386  1
  Si  Si160  1  0.832933  0.667249  0.166971  1
  Si  Si161  1  0.833317  0.666508  0.499969  1
  Si  Si162  1  0.833516  0.666528  0.833321  1
  Si  Si163  1  0.081411  0.081357  0.082486  1
  Si  Si164  1  0.083488  0.083674  0.416547  1
  Si  Si165  1  0.083226  0.083196  0.749901  1
  Si  Si166  1  0.081304  0.418648  0.084197  1
  Si  Si167  1  0.083253  0.416668  0.416820  1
  Si  Si168  1  0.083604  0.416551  0.750237  1
  Si  Si169  1  0.083351  0.749946  0.083509  1
  Si  Si170  1  0.083316  0.750062  0.416591  1
  Si  Si171  1  0.083111  0.749934  0.749943  1
  Si  Si172  1  0.418595  0.081269  0.084130  1
  Si  Si173  1  0.416793  0.083182  0.416755  1
  Si  Si174  1  0.416499  0.083485  0.750198  1
  Si  Si175  1  0.418723  0.418613  0.082539  1
  Si  Si176  1  0.416471  0.416418  0.416457  1
  Si  Si177  1  0.416693  0.416602  0.749937  1
  Si  Si178  1  0.416683  0.749858  0.083227  1
  Si  Si179  1  0.416708  0.750046  0.416703  1
  Si  Si180  1  0.416878  0.749953  0.750020  1
  Si  Si181  1  0.750021  0.083128  0.083348  1
  Si  Si182  1  0.750083  0.083110  0.416567  1
  Si  Si183  1  0.750048  0.083127  0.750036  1
  Si  Si184  1  0.750006  0.416606  0.083204  1
  Si  Si185  1  0.749803  0.416837  0.416660  1
  Si  Si186  1  0.750029  0.416633  0.750030  1
  Si  Si187  1  0.750105  0.749945  0.083413  1
  Si  Si188  1  0.749961  0.749871  0.416597  1
  Si  Si189  1  0.750110  0.749866  0.750043  1
  Si  Si190  1  0.160073  0.160014  0.993274  1
  Si  Si191  1  0.166826  0.166942  0.333033  1
  Si  Si192  1  0.166645  0.166544  0.666639  1
  Si  Si193  1  0.166893  0.499698  0.000297  1
  Si  Si194  1  0.166843  0.501707  0.335133  1
  Si  Si195  1  0.166668  0.500071  0.666601  1
  Si  Si196  1  0.166647  0.833145  0.999984  1
  Si  Si197  1  0.166709  0.833340  0.333348  1
  Si  Si198  1  0.166339  0.832840  0.666088  1
  Si  Si199  1  0.499653  0.166790  0.000217  1
  Si  Si200  1  0.501764  0.166813  0.335054  1
  Si  Si201  1  0.500057  0.166537  0.666557  1
  Si  Si202  1  0.501839  0.501673  0.000198  1
  Si  Si203  1  0.499854  0.499825  0.333181  1
  Si  Si204  1  0.499979  0.499962  0.666667  1
  Si  Si205  1  0.500011  0.833178  0.999893  1
  Si  Si206  1  0.499976  0.833264  0.333362  1
  Si  Si207  1  0.500152  0.833352  0.666809  1
  Si  Si208  1  0.833273  0.166504  0.999962  1
  Si  Si209  1  0.833276  0.166602  0.333291  1
  Si  Si210  1  0.832752  0.166553  0.666199  1
  Si  Si211  1  0.833250  0.500073  0.999940  1
  Si  Si212  1  0.833187  0.500053  0.333404  1
  Si  Si213  1  0.833385  0.499910  0.666739  1
  Si  Si214  1  0.832919  0.832728  0.999856  1
  Si  Si215  1  0.833403  0.833416  0.333491  1
  Si  Si216  1  0.833457  0.833267  0.666689  1
