# generated using pymatgen
data_Si216Bi
_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   Si216Bi
_chemical_formula_sum   'Si216 Bi1'
_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
  Si  Si1  1  0.281835  0.276122  0.109520  1
  Si  Si2  1  0.250129  0.250733  0.417341  1
  Si  Si3  1  0.249812  0.249596  0.749654  1
  Si  Si4  1  0.250125  0.584009  0.084038  1
  Si  Si5  1  0.250506  0.586217  0.419521  1
  Si  Si6  1  0.249667  0.583107  0.750866  1
  Si  Si7  1  0.249829  0.916380  0.082891  1
  Si  Si8  1  0.249644  0.917539  0.416412  1
  Si  Si9  1  0.250281  0.912378  0.745688  1
  Si  Si10  1  0.583857  0.250803  0.084090  1
  Si  Si11  1  0.584857  0.251057  0.418646  1
  Si  Si12  1  0.582971  0.250256  0.750225  1
  Si  Si13  1  0.584845  0.585360  0.084321  1
  Si  Si14  1  0.583558  0.584080  0.417384  1
  Si  Si15  1  0.583148  0.583641  0.750719  1
  Si  Si16  1  0.582976  0.916907  0.083532  1
  Si  Si17  1  0.583130  0.917411  0.416952  1
  Si  Si18  1  0.582506  0.916843  0.750143  1
  Si  Si19  1  0.915926  0.249819  0.083052  1
  Si  Si20  1  0.916230  0.250352  0.416939  1
  Si  Si21  1  0.911507  0.250535  0.745897  1
  Si  Si22  1  0.916243  0.583633  0.083673  1
  Si  Si23  1  0.916853  0.583620  0.416958  1
  Si  Si24  1  0.916340  0.583185  0.750297  1
  Si  Si25  1  0.911478  0.912631  0.083877  1
  Si  Si26  1  0.916341  0.916989  0.416443  1
  Si  Si27  1  0.916152  0.916580  0.749904  1
  Si  Si28  1  0.992754  0.993601  0.997637  1
  Si  Si29  1  0.999384  0.000558  0.333160  1
  Si  Si30  1  0.999269  0.999702  0.665857  1
  Si  Si31  1  0.998064  0.334222  0.998579  1
  Si  Si32  1  0.000005  0.333458  0.333665  1
  Si  Si33  1  0.999135  0.333210  0.666735  1
  Si  Si34  1  0.999713  0.666717  0.000292  1
  Si  Si35  1  0.999758  0.666999  0.333435  1
  Si  Si36  1  0.999365  0.666457  0.666764  1
  Si  Si37  1  0.333865  0.000114  0.001066  1
  Si  Si38  1  0.332902  0.001153  0.332825  1
  Si  Si39  1  0.333167  0.000099  0.666675  1
  Si  Si40  1  0.341372  0.340213  0.998930  1
  Si  Si41  1  0.335332  0.334307  0.336099  1
  Si  Si42  1  0.333396  0.333439  0.667132  1
  Si  Si43  1  0.333201  0.667182  0.000384  1
  Si  Si44  1  0.333350  0.667999  0.334057  1
  Si  Si45  1  0.332852  0.666919  0.667471  1
  Si  Si46  1  0.666433  0.000011  0.000159  1
  Si  Si47  1  0.666519  0.000450  0.333688  1
  Si  Si48  1  0.665638  0.000095  0.666495  1
  Si  Si49  1  0.666928  0.333986  0.000395  1
  Si  Si50  1  0.667264  0.333880  0.333922  1
  Si  Si51  1  0.666366  0.333516  0.667041  1
  Si  Si52  1  0.666195  0.667550  0.000111  1
  Si  Si53  1  0.666710  0.667250  0.333601  1
  Si  Si54  1  0.666402  0.666852  0.667042  1
  Si  Si55  1  0.248911  0.084898  0.249477  1
  Si  Si56  1  0.249594  0.083496  0.583577  1
  Si  Si57  1  0.253710  0.077551  0.910826  1
  Si  Si58  1  0.254813  0.426222  0.259516  1
  Si  Si59  1  0.249786  0.416941  0.584135  1
  Si  Si60  1  0.248849  0.416082  0.918257  1
  Si  Si61  1  0.249768  0.750822  0.250231  1
  Si  Si62  1  0.249828  0.749728  0.583069  1
  Si  Si63  1  0.249605  0.750278  0.916840  1
  Si  Si64  1  0.583401  0.084053  0.250796  1
  Si  Si65  1  0.582542  0.083712  0.583468  1
  Si  Si66  1  0.583321  0.083457  0.916733  1
  Si  Si67  1  0.583974  0.417582  0.250870  1
  Si  Si68  1  0.583380  0.417293  0.584413  1
  Si  Si69  1  0.583407  0.417530  0.917356  1
  Si  Si70  1  0.583426  0.751129  0.250577  1
  Si  Si71  1  0.583159  0.750436  0.583747  1
  Si  Si72  1  0.582489  0.750179  0.916985  1
  Si  Si73  1  0.913951  0.083025  0.251456  1
  Si  Si74  1  0.915960  0.083402  0.582896  1
  Si  Si75  1  0.913497  0.082483  0.915815  1
  Si  Si76  1  0.916775  0.416909  0.250215  1
  Si  Si77  1  0.916391  0.416906  0.583597  1
  Si  Si78  1  0.913872  0.418213  0.916251  1
  Si  Si79  1  0.916399  0.750265  0.250234  1
  Si  Si80  1  0.916385  0.750225  0.583486  1
  Si  Si81  1  0.915987  0.749598  0.916755  1
  Si  Si82  1  0.998157  0.165365  0.167406  1
  Si  Si83  1  0.999686  0.166949  0.500020  1
  Si  Si84  1  0.992772  0.164227  0.826879  1
  Si  Si85  1  0.999993  0.500327  0.166765  1
  Si  Si86  1  0.999752  0.500131  0.500367  1
  Si  Si87  1  0.999383  0.499880  0.833830  1
  Si  Si88  1  0.999124  0.833468  0.166548  1
  Si  Si89  1  0.999372  0.833451  0.499690  1
  Si  Si90  1  0.999293  0.832587  0.833065  1
  Si  Si91  1  0.341403  0.165514  0.173565  1
  Si  Si92  1  0.333207  0.167069  0.500518  1
  Si  Si93  1  0.333878  0.167782  0.833379  1
  Si  Si94  1  0.335362  0.502836  0.167639  1
  Si  Si95  1  0.333365  0.500750  0.501288  1
  Si  Si96  1  0.332854  0.499475  0.834495  1
  Si  Si97  1  0.333373  0.833819  0.166734  1
  Si  Si98  1  0.332811  0.834153  0.500237  1
  Si  Si99  1  0.333170  0.833359  0.833411  1
  Si  Si100  1  0.666941  0.167100  0.167258  1
  Si  Si101  1  0.666218  0.166828  0.500806  1
  Si  Si102  1  0.666437  0.166892  0.833324  1
  Si  Si103  1  0.667254  0.500644  0.167162  1
  Si  Si104  1  0.666704  0.500305  0.500564  1
  Si  Si105  1  0.666546  0.500392  0.833766  1
  Si  Si106  1  0.666405  0.833764  0.166805  1
  Si  Si107  1  0.666390  0.833731  0.500165  1
  Si  Si108  1  0.665618  0.833185  0.833394  1
  Si  Si109  1  0.084663  0.251003  0.249778  1
  Si  Si110  1  0.082990  0.250083  0.583668  1
  Si  Si111  1  0.075099  0.249934  0.905730  1
  Si  Si112  1  0.083310  0.583962  0.250400  1
  Si  Si113  1  0.082998  0.583416  0.583723  1
  Si  Si114  1  0.083097  0.583053  0.917230  1
  Si  Si115  1  0.082872  0.917443  0.249482  1
  Si  Si116  1  0.082761  0.916508  0.582669  1
  Si  Si117  1  0.083200  0.916189  0.915256  1
  Si  Si118  1  0.421613  0.250994  0.255079  1
  Si  Si119  1  0.416781  0.250353  0.583770  1
  Si  Si120  1  0.418350  0.250027  0.917190  1
  Si  Si121  1  0.417967  0.585432  0.251054  1
  Si  Si122  1  0.416691  0.583946  0.584423  1
  Si  Si123  1  0.416518  0.583654  0.917183  1
  Si  Si124  1  0.416492  0.917448  0.250083  1
  Si  Si125  1  0.416509  0.917250  0.583464  1
  Si  Si126  1  0.416547  0.916978  0.917130  1
  Si  Si127  1  0.750419  0.250507  0.250433  1
  Si  Si128  1  0.748707  0.250433  0.582601  1
  Si  Si129  1  0.749707  0.250313  0.916669  1
  Si  Si130  1  0.750397  0.583794  0.250571  1
  Si  Si131  1  0.750014  0.583583  0.583823  1
  Si  Si132  1  0.749217  0.584224  0.917025  1
  Si  Si133  1  0.749418  0.916950  0.250297  1
  Si  Si134  1  0.749670  0.916984  0.583499  1
  Si  Si135  1  0.748982  0.916052  0.916573  1
  Si  Si136  1  0.167281  0.999643  0.165891  1
  Si  Si137  1  0.166225  0.000522  0.499930  1
  Si  Si138  1  0.168300  0.995152  0.828440  1
  Si  Si139  1  0.171138  0.346097  0.179439  1
  Si  Si140  1  0.166517  0.333675  0.500598  1
  Si  Si141  1  0.167220  0.332641  0.832846  1
  Si  Si142  1  0.166507  0.667279  0.166963  1
  Si  Si143  1  0.166093  0.667773  0.501043  1
  Si  Si144  1  0.166240  0.666627  0.833857  1
  Si  Si145  1  0.500440  0.000523  0.167211  1
  Si  Si146  1  0.499584  0.000419  0.500075  1
  Si  Si147  1  0.499526  0.000409  0.833722  1
  Si  Si148  1  0.501001  0.334324  0.167609  1
  Si  Si149  1  0.500738  0.333883  0.501372  1
  Si  Si150  1  0.500436  0.333934  0.833850  1
  Si  Si151  1  0.500768  0.668103  0.167175  1
  Si  Si152  1  0.499736  0.667248  0.500523  1
  Si  Si153  1  0.499579  0.666758  0.833690  1
  Si  Si154  1  0.832165  0.999607  0.167012  1
  Si  Si155  1  0.832918  0.000156  0.499837  1
  Si  Si156  1  0.831490  0.999367  0.832656  1
  Si  Si157  1  0.833677  0.333378  0.166668  1
  Si  Si158  1  0.833124  0.333524  0.500287  1
  Si  Si159  1  0.832166  0.333668  0.832862  1
  Si  Si160  1  0.833141  0.666982  0.166822  1
  Si  Si161  1  0.833205  0.666864  0.500184  1
  Si  Si162  1  0.832930  0.666557  0.833502  1
  Si  Si163  1  0.075240  0.072594  0.083096  1
  Si  Si164  1  0.083095  0.083901  0.416368  1
  Si  Si165  1  0.083204  0.081901  0.749400  1
  Si  Si166  1  0.084640  0.416403  0.084298  1
  Si  Si167  1  0.083319  0.417111  0.417298  1
  Si  Si168  1  0.082859  0.416238  0.750630  1
  Si  Si169  1  0.083007  0.750409  0.083406  1
  Si  Si170  1  0.083005  0.750418  0.416644  1
  Si  Si171  1  0.082777  0.749385  0.749852  1
  Si  Si172  1  0.418361  0.083872  0.083328  1
  Si  Si173  1  0.416538  0.083917  0.416960  1
  Si  Si174  1  0.416570  0.083828  0.750265  1
  Si  Si175  1  0.421605  0.421815  0.084295  1
  Si  Si176  1  0.417931  0.417736  0.418683  1
  Si  Si177  1  0.416494  0.416807  0.750763  1
  Si  Si178  1  0.416766  0.750459  0.083655  1
  Si  Si179  1  0.416669  0.751149  0.417237  1
  Si  Si180  1  0.416534  0.750183  0.750545  1
  Si  Si181  1  0.749706  0.083355  0.083595  1
  Si  Si182  1  0.749219  0.083701  0.417493  1
  Si  Si183  1  0.748988  0.083305  0.749362  1
  Si  Si184  1  0.750413  0.417144  0.083799  1
  Si  Si185  1  0.750383  0.417281  0.417090  1
  Si  Si186  1  0.749396  0.416966  0.750243  1
  Si  Si187  1  0.748716  0.749295  0.083730  1
  Si  Si188  1  0.749993  0.750491  0.416916  1
  Si  Si189  1  0.749664  0.750173  0.750313  1
  Si  Si190  1  0.120536  0.108305  0.941678  1
  Si  Si191  1  0.166669  0.167812  0.333711  1
  Si  Si192  1  0.165988  0.166440  0.666858  1
  Si  Si193  1  0.166644  0.500363  0.001151  1
  Si  Si194  1  0.166270  0.504892  0.338198  1
  Si  Si195  1  0.166106  0.499978  0.667431  1
  Si  Si196  1  0.165996  0.833602  0.999756  1
  Si  Si197  1  0.166083  0.834176  0.333203  1
  Si  Si198  1  0.165601  0.831299  0.664604  1
  Si  Si199  1  0.501278  0.167275  0.000583  1
  Si  Si200  1  0.502984  0.167240  0.336935  1
  Si  Si201  1  0.499720  0.166832  0.667025  1
  Si  Si202  1  0.502962  0.503657  0.000515  1
  Si  Si203  1  0.500383  0.500789  0.334094  1
  Si  Si204  1  0.499813  0.500380  0.667639  1
  Si  Si205  1  0.499677  0.833721  0.000129  1
  Si  Si206  1  0.499815  0.834334  0.333652  1
  Si  Si207  1  0.499372  0.833573  0.666864  1
  Si  Si208  1  0.832242  0.166766  0.000071  1
  Si  Si209  1  0.832215  0.166860  0.334570  1
  Si  Si210  1  0.830504  0.166394  0.664229  1
  Si  Si211  1  0.832204  0.501301  0.000166  1
  Si  Si212  1  0.833698  0.500288  0.333594  1
  Si  Si213  1  0.833076  0.499896  0.667108  1
  Si  Si214  1  0.830515  0.830952  0.999708  1
  Si  Si215  1  0.833060  0.833760  0.333214  1
  Si  Si216  1  0.832856  0.833450  0.666777  1
  Bi  Bi217  1  0.143317  0.225617  0.058411  1
