# 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  0.261751  0.254372  0.071058  1
  Si  Si2  1  0.250454  0.251428  0.417761  1
  Si  Si3  1  0.250302  0.250094  0.749024  1
  Si  Si4  1  0.250642  0.584344  0.082051  1
  Si  Si5  1  0.250201  0.583797  0.416065  1
  Si  Si6  1  0.250282  0.584276  0.748290  1
  Si  Si7  1  0.249997  0.916668  0.083317  1
  Si  Si8  1  0.250316  0.915723  0.416807  1
  Si  Si9  1  0.250107  0.916688  0.749461  1
  Si  Si10  1  0.583566  0.250004  0.082993  1
  Si  Si11  1  0.583313  0.249967  0.416497  1
  Si  Si12  1  0.584146  0.249804  0.748902  1
  Si  Si13  1  0.584276  0.583942  0.082826  1
  Si  Si14  1  0.583331  0.583335  0.416632  1
  Si  Si15  1  0.583432  0.583248  0.749354  1
  Si  Si16  1  0.583339  0.916673  0.083318  1
  Si  Si17  1  0.583326  0.916653  0.416659  1
  Si  Si18  1  0.583336  0.916674  0.749988  1
  Si  Si19  1  0.915122  0.251235  0.082463  1
  Si  Si20  1  0.911117  0.252419  0.421946  1
  Si  Si21  1  0.916671  0.249998  0.749990  1
  Si  Si22  1  0.916597  0.583920  0.082619  1
  Si  Si23  1  0.916752  0.583065  0.416256  1
  Si  Si24  1  0.916665  0.583333  0.749989  1
  Si  Si25  1  0.916150  0.915750  0.082839  1
  Si  Si26  1  0.915834  0.914998  0.417243  1
  Si  Si27  1  0.916663  0.916657  0.749991  1
  Si  Si28  1  0.998964  0.997042  0.997162  1
  Si  Si29  1  0.999193  0.997033  0.333774  1
  Si  Si30  1  0.000001  0.999770  0.666801  1
  Si  Si31  1  0.000940  0.332697  0.999228  1
  Si  Si32  1  0.994394  0.336234  0.338553  1
  Si  Si33  1  0.999935  0.333287  0.666497  1
  Si  Si34  1  0.000321  0.666780  0.999024  1
  Si  Si35  1  0.999971  0.666777  0.333260  1
  Si  Si36  1  0.999949  0.666098  0.666187  1
  Si  Si37  1  0.333302  0.999973  0.999733  1
  Si  Si38  1  0.335733  0.997275  0.333924  1
  Si  Si39  1  0.333481  0.000036  0.666286  1
  Si  Si40  1  0.342218  0.337752  0.990518  1
  Si  Si41  1  0.333413  0.332733  0.331552  1
  Si  Si42  1  0.333509  0.333433  0.665774  1
  Si  Si43  1  0.333933  0.667305  0.998728  1
  Si  Si44  1  0.333848  0.666818  0.332614  1
  Si  Si45  1  0.333724  0.666946  0.665223  1
  Si  Si46  1  0.666612  0.999959  0.999834  1
  Si  Si47  1  0.666343  0.999622  0.333181  1
  Si  Si48  1  0.666689  0.000090  0.666617  1
  Si  Si49  1  0.666859  0.333377  0.999760  1
  Si  Si50  1  0.666669  0.333330  0.333215  1
  Si  Si51  1  0.666072  0.333499  0.666763  1
  Si  Si52  1  0.667238  0.666890  0.999617  1
  Si  Si53  1  0.666738  0.666305  0.333221  1
  Si  Si54  1  0.666752  0.666758  0.666506  1
  Si  Si55  1  0.252450  0.080586  0.250606  1
  Si  Si56  1  0.249999  0.083297  0.583333  1
  Si  Si57  1  0.250523  0.083237  0.915614  1
  Si  Si58  1  0.256222  0.424054  0.250690  1
  Si  Si59  1  0.250080  0.417041  0.582885  1
  Si  Si60  1  0.250781  0.418432  0.913579  1
  Si  Si61  1  0.250231  0.750161  0.249601  1
  Si  Si62  1  0.250042  0.750103  0.582732  1
  Si  Si63  1  0.250231  0.750503  0.915654  1
  Si  Si64  1  0.583332  0.083332  0.249987  1
  Si  Si65  1  0.583295  0.083275  0.583343  1
  Si  Si66  1  0.583489  0.083207  0.916411  1
  Si  Si67  1  0.583413  0.416724  0.249881  1
  Si  Si68  1  0.583507  0.416575  0.582320  1
  Si  Si69  1  0.584242  0.416929  0.915818  1
  Si  Si70  1  0.584282  0.749721  0.249727  1
  Si  Si71  1  0.583356  0.750021  0.583216  1
  Si  Si72  1  0.583411  0.750031  0.916527  1
  Si  Si73  1  0.910561  0.077613  0.253094  1
  Si  Si74  1  0.916043  0.082963  0.584152  1
  Si  Si75  1  0.916569  0.083089  0.916208  1
  Si  Si76  1  0.916640  0.416946  0.248752  1
  Si  Si77  1  0.916650  0.416707  0.583345  1
  Si  Si78  1  0.916684  0.416665  0.916661  1
  Si  Si79  1  0.916653  0.749980  0.249944  1
  Si  Si80  1  0.916525  0.749544  0.583339  1
  Si  Si81  1  0.916712  0.750040  0.916335  1
  Si  Si82  1  0.987715  0.157111  0.162905  1
  Si  Si83  1  0.998182  0.167317  0.501068  1
  Si  Si84  1  0.000019  0.166616  0.833191  1
  Si  Si85  1  0.000166  0.501490  0.166389  1
  Si  Si86  1  0.000206  0.499786  0.499394  1
  Si  Si87  1  0.000087  0.500045  0.832946  1
  Si  Si88  1  0.999851  0.833000  0.166133  1
  Si  Si89  1  0.999929  0.832695  0.500393  1
  Si  Si90  1  0.000002  0.832504  0.832140  1
  Si  Si91  1  0.334000  0.167703  0.165125  1
  Si  Si92  1  0.333436  0.166640  0.499872  1
  Si  Si93  1  0.333844  0.166805  0.832095  1
  Si  Si94  1  0.337852  0.504398  0.165167  1
  Si  Si95  1  0.333232  0.499927  0.499008  1
  Si  Si96  1  0.334034  0.501274  0.830963  1
  Si  Si97  1  0.333636  0.833373  0.166277  1
  Si  Si98  1  0.333666  0.832989  0.499624  1
  Si  Si99  1  0.333672  0.833635  0.832617  1
  Si  Si100  1  0.666714  0.166618  0.166566  1
  Si  Si101  1  0.666066  0.166521  0.500208  1
  Si  Si102  1  0.666668  0.166609  0.833131  1
  Si  Si103  1  0.666703  0.500149  0.166559  1
  Si  Si104  1  0.666787  0.500344  0.499585  1
  Si  Si105  1  0.667238  0.500276  0.832693  1
  Si  Si106  1  0.666062  0.832643  0.166294  1
  Si  Si107  1  0.666748  0.833323  0.499903  1
  Si  Si108  1  0.666728  0.833392  0.833244  1
  Si  Si109  1  0.023216  0.200521  0.309627  1
  Si  Si110  1  0.083301  0.249969  0.583329  1
  Si  Si111  1  0.084127  0.250136  0.915426  1
  Si  Si112  1  0.083592  0.584564  0.249197  1
  Si  Si113  1  0.083175  0.583145  0.582675  1
  Si  Si114  1  0.083575  0.586049  0.913121  1
  Si  Si115  1  0.083353  0.915578  0.249602  1
  Si  Si116  1  0.083035  0.914864  0.584860  1
  Si  Si117  1  0.083599  0.915355  0.914829  1
  Si  Si118  1  0.417380  0.249989  0.248799  1
  Si  Si119  1  0.416897  0.249912  0.582958  1
  Si  Si120  1  0.421271  0.249756  0.911478  1
  Si  Si121  1  0.419718  0.586086  0.249346  1
  Si  Si122  1  0.416804  0.583404  0.582017  1
  Si  Si123  1  0.417057  0.583703  0.915503  1
  Si  Si124  1  0.418166  0.915362  0.249493  1
  Si  Si125  1  0.416585  0.916692  0.582914  1
  Si  Si126  1  0.416681  0.916755  0.916385  1
  Si  Si127  1  0.749906  0.249942  0.249993  1
  Si  Si128  1  0.747813  0.249448  0.585197  1
  Si  Si129  1  0.749972  0.249944  0.916437  1
  Si  Si130  1  0.750010  0.583322  0.249985  1
  Si  Si131  1  0.750008  0.583326  0.583321  1
  Si  Si132  1  0.750273  0.583410  0.916324  1
  Si  Si133  1  0.748137  0.914758  0.250029  1
  Si  Si134  1  0.749995  0.916659  0.583329  1
  Si  Si135  1  0.750010  0.916664  0.916667  1
  Si  Si136  1  0.166343  0.999465  0.166557  1
  Si  Si137  1  0.167522  0.996339  0.503176  1
  Si  Si138  1  0.166849  0.999807  0.832743  1
  Si  Si139  1  0.189900  0.362011  0.142598  1
  Si  Si140  1  0.166350  0.333650  0.500315  1
  Si  Si141  1  0.167157  0.333717  0.832070  1
  Si  Si142  1  0.167129  0.667261  0.165649  1
  Si  Si143  1  0.166704  0.666616  0.499748  1
  Si  Si144  1  0.167200  0.668205  0.831074  1
  Si  Si145  1  0.500172  0.000022  0.166436  1
  Si  Si146  1  0.500060  0.000098  0.499939  1
  Si  Si147  1  0.500005  0.000116  0.833203  1
  Si  Si148  1  0.500537  0.333778  0.165888  1
  Si  Si149  1  0.499768  0.333346  0.499252  1
  Si  Si150  1  0.502547  0.334294  0.830264  1
  Si  Si151  1  0.501634  0.668225  0.165606  1
  Si  Si152  1  0.500153  0.666910  0.499371  1
  Si  Si153  1  0.500332  0.667045  0.832474  1
  Si  Si154  1  0.829838  0.996287  0.165695  1
  Si  Si155  1  0.833209  0.999875  0.499986  1
  Si  Si156  1  0.833171  0.999944  0.833170  1
  Si  Si157  1  0.832740  0.333510  0.166723  1
  Si  Si158  1  0.828580  0.334538  0.504341  1
  Si  Si159  1  0.833372  0.333327  0.833198  1
  Si  Si160  1  0.833292  0.666662  0.166545  1
  Si  Si161  1  0.833331  0.666342  0.499794  1
  Si  Si162  1  0.833514  0.666707  0.833191  1
  Si  Si163  1  0.082254  0.080448  0.080302  1
  Si  Si164  1  0.079999  0.077619  0.422395  1
  Si  Si165  1  0.083335  0.083330  0.749970  1
  Si  Si166  1  0.081712  0.424059  0.076360  1
  Si  Si167  1  0.084265  0.416944  0.416260  1
  Si  Si168  1  0.083366  0.416934  0.749280  1
  Si  Si169  1  0.083450  0.750236  0.082346  1
  Si  Si170  1  0.083336  0.749995  0.416656  1
  Si  Si171  1  0.083176  0.749802  0.748614  1
  Si  Si172  1  0.417271  0.083269  0.082423  1
  Si  Si173  1  0.416752  0.083234  0.416576  1
  Si  Si174  1  0.416906  0.083084  0.749449  1
  Si  Si175  1  0.419103  0.418412  0.081997  1
  Si  Si176  1  0.416333  0.416548  0.415541  1
  Si  Si177  1  0.417220  0.417051  0.748371  1
  Si  Si178  1  0.416997  0.750474  0.082540  1
  Si  Si179  1  0.416921  0.750029  0.416040  1
  Si  Si180  1  0.416776  0.750148  0.749072  1
  Si  Si181  1  0.749729  0.083092  0.083188  1
  Si  Si182  1  0.748956  0.082899  0.417088  1
  Si  Si183  1  0.749985  0.083320  0.750003  1
  Si  Si184  1  0.749918  0.416841  0.083227  1
  Si  Si185  1  0.749699  0.417024  0.416470  1
  Si  Si186  1  0.750188  0.416635  0.749544  1
  Si  Si187  1  0.750015  0.749995  0.083311  1
  Si  Si188  1  0.749810  0.749578  0.416613  1
  Si  Si189  1  0.750011  0.750003  0.749990  1
  Si  Si190  1  0.167744  0.167716  0.998784  1
  Si  Si191  1  0.169894  0.157379  0.345109  1
  Si  Si192  1  0.166574  0.166595  0.666435  1
  Si  Si193  1  0.167541  0.504292  0.994957  1
  Si  Si194  1  0.166397  0.501423  0.332486  1
  Si  Si195  1  0.166705  0.500339  0.666031  1
  Si  Si196  1  0.166974  0.833561  0.999347  1
  Si  Si197  1  0.166765  0.833144  0.333247  1
  Si  Si198  1  0.166866  0.832686  0.666839  1
  Si  Si199  1  0.500592  0.166950  0.999148  1
  Si  Si200  1  0.499933  0.166687  0.333137  1
  Si  Si201  1  0.500088  0.166600  0.666427  1
  Si  Si202  1  0.501551  0.501321  0.998705  1
  Si  Si203  1  0.500211  0.500285  0.332906  1
  Si  Si204  1  0.500335  0.500317  0.665179  1
  Si  Si205  1  0.500203  0.833735  0.999541  1
  Si  Si206  1  0.501069  0.832651  0.332992  1
  Si  Si207  1  0.500115  0.833603  0.666253  1
  Si  Si208  1  0.833116  0.166394  0.999550  1
  Si  Si209  1  0.832012  0.167265  0.335004  1
  Si  Si210  1  0.832953  0.166637  0.667045  1
  Si  Si211  1  0.833375  0.500031  0.999879  1
  Si  Si212  1  0.833523  0.499905  0.332724  1
  Si  Si213  1  0.833619  0.500152  0.666521  1
  Si  Si214  1  0.833177  0.832967  0.999688  1
  Si  Si215  1  0.832685  0.832673  0.333136  1
  Si  Si216  1  0.833365  0.833294  0.666554  1
  Bi  Bi217  1  0.140031  0.221408  0.192659  1