# 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  0.270147  0.256341  0.076925  1
  Si  Si2  1  0.251122  0.250315  0.418990  1
  Si  Si3  1  0.250355  0.249950  0.749128  1
  Si  Si4  1  0.250349  0.584236  0.083362  1
  Si  Si5  1  0.250695  0.585001  0.418519  1
  Si  Si6  1  0.250201  0.584497  0.748808  1
  Si  Si7  1  0.251124  0.914347  0.083014  1
  Si  Si8  1  0.250191  0.917553  0.415789  1
  Si  Si9  1  0.250689  0.914803  0.748332  1
  Si  Si10  1  0.583812  0.250145  0.083177  1
  Si  Si11  1  0.583600  0.250042  0.417335  1
  Si  Si12  1  0.584155  0.249855  0.749018  1
  Si  Si13  1  0.584144  0.584310  0.083467  1
  Si  Si14  1  0.583536  0.583654  0.416994  1
  Si  Si15  1  0.583731  0.583210  0.750066  1
  Si  Si16  1  0.583611  0.915979  0.083278  1
  Si  Si17  1  0.582957  0.916564  0.416785  1
  Si  Si18  1  0.583527  0.916303  0.749672  1
  Si  Si19  1  0.912104  0.249888  0.083448  1
  Si  Si20  1  0.913906  0.249544  0.419993  1
  Si  Si21  1  0.915736  0.250174  0.749286  1
  Si  Si22  1  0.915734  0.584063  0.083142  1
  Si  Si23  1  0.916401  0.583801  0.416925  1
  Si  Si24  1  0.916801  0.582443  0.750877  1
  Si  Si25  1  0.913898  0.913349  0.083782  1
  Si  Si26  1  0.916347  0.914940  0.418394  1
  Si  Si27  1  0.916404  0.916407  0.749529  1
  Si  Si28  1  0.991239  0.991581  0.991199  1
  Si  Si29  1  0.000955  0.997145  0.336203  1
  Si  Si30  1  0.999830  0.999629  0.666279  1
  Si  Si31  1  0.003313  0.330026  0.003309  1
  Si  Si32  1  0.991238  0.342146  0.341777  1
  Si  Si33  1  0.999742  0.333623  0.666705  1
  Si  Si34  1  0.999751  0.666636  0.999696  1
  Si  Si35  1  0.999820  0.667047  0.333689  1
  Si  Si36  1  0.999557  0.665973  0.667351  1
  Si  Si37  1  0.336240  0.997133  0.000829  1
  Si  Si38  1  0.331265  0.002144  0.331185  1
  Si  Si39  1  0.333618  0.999759  0.666177  1
  Si  Si40  1  0.341760  0.342093  0.991232  1
  Si  Si41  1  0.336241  0.332479  0.336182  1
  Si  Si42  1  0.333737  0.333526  0.666284  1
  Si  Si43  1  0.333742  0.667060  0.999770  1
  Si  Si44  1  0.333622  0.667163  0.333566  1
  Si  Si45  1  0.333506  0.667565  0.665731  1
  Si  Si46  1  0.666316  0.999610  0.999758  1
  Si  Si47  1  0.666236  0.999780  0.333553  1
  Si  Si48  1  0.665852  0.999867  0.665764  1
  Si  Si49  1  0.666698  0.333648  0.999687  1
  Si  Si50  1  0.666299  0.333559  0.333685  1
  Si  Si51  1  0.667364  0.333840  0.667327  1
  Si  Si52  1  0.667341  0.666007  0.999474  1
  Si  Si53  1  0.665857  0.667580  0.333445  1
  Si  Si54  1  0.666677  0.666704  0.666603  1
  Si  Si55  1  0.246678  0.086711  0.246619  1
  Si  Si56  1  0.250343  0.083041  0.583304  1
  Si  Si57  1  0.258700  0.074665  0.908293  1
  Si  Si58  1  0.258717  0.425045  0.258670  1
  Si  Si59  1  0.250249  0.417084  0.583701  1
  Si  Si60  1  0.249172  0.419586  0.913752  1
  Si  Si61  1  0.250339  0.750027  0.250282  1
  Si  Si62  1  0.250524  0.750740  0.582576  1
  Si  Si63  1  0.250233  0.749627  0.916216  1
  Si  Si64  1  0.583324  0.083036  0.250283  1
  Si  Si65  1  0.582685  0.082885  0.582630  1
  Si  Si66  1  0.583731  0.083139  0.916226  1
  Si  Si67  1  0.583736  0.417105  0.250146  1
  Si  Si68  1  0.584218  0.416811  0.584144  1
  Si  Si69  1  0.583816  0.416917  0.916403  1
  Si  Si70  1  0.582671  0.750715  0.250447  1
  Si  Si71  1  0.583510  0.749913  0.583385  1
  Si  Si72  1  0.584187  0.749140  0.916474  1
  Si  Si73  1  0.908304  0.074610  0.258735  1
  Si  Si74  1  0.916272  0.083153  0.583724  1
  Si  Si75  1  0.913777  0.084225  0.913752  1
  Si  Si76  1  0.913785  0.419585  0.249117  1
  Si  Si77  1  0.916475  0.416902  0.583815  1
  Si  Si78  1  0.918758  0.414606  0.918741  1
  Si  Si79  1  0.916274  0.749621  0.250164  1
  Si  Si80  1  0.916595  0.749137  0.584183  1
  Si  Si81  1  0.916472  0.749503  0.916406  1
  Si  Si82  1  0.979465  0.160518  0.172786  1
  Si  Si83  1  0.999666  0.166767  0.500929  1
  Si  Si84  1  0.998928  0.166413  0.831006  1
  Si  Si85  1  0.998911  0.502333  0.166911  1
  Si  Si86  1  0.999343  0.501944  0.501679  1
  Si  Si87  1  0.999848  0.499174  0.834145  1
  Si  Si88  1  0.999669  0.832436  0.166566  1
  Si  Si89  1  0.999863  0.832227  0.501097  1
  Si  Si90  1  0.999345  0.831647  0.831378  1
  Si  Si91  1  0.337661  0.166993  0.166312  1
  Si  Si92  1  0.334286  0.166515  0.500683  1
  Si  Si93  1  0.336136  0.167154  0.830024  1
  Si  Si94  1  0.336119  0.503334  0.166167  1
  Si  Si95  1  0.333644  0.500284  0.500405  1
  Si  Si96  1  0.333711  0.501819  0.831510  1
  Si  Si97  1  0.334292  0.832648  0.166809  1
  Si  Si98  1  0.333263  0.834279  0.499059  1
  Si  Si99  1  0.333642  0.832904  0.833024  1
  Si  Si100  1  0.666240  0.166546  0.166776  1
  Si  Si101  1  0.665844  0.166876  0.500886  1
  Si  Si102  1  0.666359  0.166664  0.832546  1
  Si  Si103  1  0.666373  0.500798  0.166651  1
  Si  Si104  1  0.666568  0.500380  0.500270  1
  Si  Si105  1  0.667090  0.500107  0.833197  1
  Si  Si106  1  0.665847  0.832453  0.166465  1
  Si  Si107  1  0.666389  0.833449  0.499891  1
  Si  Si108  1  0.666561  0.833022  0.832933  1
  Si  Si109  1  0.077195  0.256438  0.270470  1
  Si  Si110  1  0.083246  0.250136  0.583820  1
  Si  Si111  1  0.083560  0.249811  0.912261  1
  Si  Si112  1  0.083409  0.584217  0.250312  1
  Si  Si113  1  0.083555  0.584304  0.584132  1
  Si  Si114  1  0.083196  0.584062  0.915681  1
  Si  Si115  1  0.083087  0.914365  0.251030  1
  Si  Si116  1  0.083340  0.915966  0.583590  1
  Si  Si117  1  0.083817  0.913335  0.913860  1
  Si  Si118  1  0.418958  0.250298  0.250989  1
  Si  Si119  1  0.417403  0.250033  0.583589  1
  Si  Si120  1  0.420010  0.249558  0.913859  1
  Si  Si121  1  0.418587  0.585015  0.250650  1
  Si  Si122  1  0.417085  0.583650  0.583415  1
  Si  Si123  1  0.416957  0.583816  0.916336  1
  Si  Si124  1  0.415866  0.917538  0.250128  1
  Si  Si125  1  0.416857  0.916569  0.582874  1
  Si  Si126  1  0.418448  0.914917  0.916258  1
  Si  Si127  1  0.749120  0.249949  0.250322  1
  Si  Si128  1  0.749061  0.249850  0.584136  1
  Si  Si129  1  0.749250  0.250180  0.915668  1
  Si  Si130  1  0.748896  0.584499  0.250134  1
  Si  Si131  1  0.750180  0.583199  0.583710  1
  Si  Si132  1  0.750872  0.582447  0.916761  1
  Si  Si133  1  0.748372  0.914785  0.250651  1
  Si  Si134  1  0.749783  0.916294  0.583462  1
  Si  Si135  1  0.749564  0.916379  0.916335  1
  Si  Si136  1  0.166482  0.995572  0.166396  1
  Si  Si137  1  0.166854  0.999102  0.500685  1
  Si  Si138  1  0.166190  0.997251  0.830032  1
  Si  Si139  1  0.173034  0.353596  0.172684  1
  Si  Si140  1  0.166621  0.333695  0.500916  1
  Si  Si141  1  0.166954  0.334456  0.831017  1
  Si  Si142  1  0.166821  0.667103  0.166782  1
  Si  Si143  1  0.166529  0.667526  0.500878  1
  Si  Si144  1  0.166715  0.666971  0.832555  1
  Si  Si145  1  0.500697  0.999127  0.166774  1
  Si  Si146  1  0.499166  0.000162  0.499092  1
  Si  Si147  1  0.500477  0.999714  0.833025  1
  Si  Si148  1  0.500911  0.333714  0.166550  1
  Si  Si149  1  0.501127  0.333519  0.501090  1
  Si  Si150  1  0.501684  0.334047  0.831376  1
  Si  Si151  1  0.500929  0.667528  0.166465  1
  Si  Si152  1  0.499962  0.667051  0.499860  1
  Si  Si153  1  0.500303  0.666803  0.832916  1
  Si  Si154  1  0.830048  0.997242  0.166160  1
  Si  Si155  1  0.833106  0.999745  0.500412  1
  Si  Si156  1  0.831561  0.999643  0.831528  1
  Si  Si157  1  0.830959  0.334501  0.166938  1
  Si  Si158  1  0.831431  0.334038  0.501670  1
  Si  Si159  1  0.834176  0.333512  0.834164  1
  Si  Si160  1  0.832608  0.666985  0.166630  1
  Si  Si161  1  0.833026  0.666801  0.500299  1
  Si  Si162  1  0.833249  0.666228  0.833226  1
  Si  Si163  1  0.077190  0.062907  0.076879  1
  Si  Si164  1  0.083077  0.082310  0.418995  1
  Si  Si165  1  0.083416  0.083009  0.749104  1
  Si  Si166  1  0.083552  0.421096  0.083508  1
  Si  Si167  1  0.083834  0.419468  0.420007  1
  Si  Si168  1  0.083204  0.417628  0.749273  1
  Si  Si169  1  0.083241  0.749539  0.083187  1
  Si  Si170  1  0.083338  0.749745  0.417343  1
  Si  Si171  1  0.083553  0.749194  0.749014  1
  Si  Si172  1  0.418958  0.082322  0.083009  1
  Si  Si173  1  0.415864  0.083188  0.415801  1
  Si  Si174  1  0.418586  0.082669  0.748329  1
  Si  Si175  1  0.419988  0.419475  0.083773  1
  Si  Si176  1  0.418453  0.417058  0.418381  1
  Si  Si177  1  0.416947  0.416983  0.749507  1
  Si  Si178  1  0.417402  0.749749  0.083279  1
  Si  Si179  1  0.416854  0.750479  0.416752  1
  Si  Si180  1  0.417066  0.749887  0.749652  1
  Si  Si181  1  0.749114  0.083001  0.083371  1
  Si  Si182  1  0.748363  0.082686  0.418547  1
  Si  Si183  1  0.748884  0.083182  0.748844  1
  Si  Si184  1  0.749264  0.417662  0.083154  1
  Si  Si185  1  0.749554  0.416968  0.416918  1
  Si  Si186  1  0.750904  0.416550  0.750883  1
  Si  Si187  1  0.749044  0.749203  0.083467  1
  Si  Si188  1  0.749777  0.749878  0.417037  1
  Si  Si189  1  0.750176  0.749609  0.750096  1
  Si  Si190  1  0.173025  0.160613  0.979781  1
  Si  Si191  1  0.166485  0.166923  0.337779  1
  Si  Si192  1  0.166839  0.166539  0.666240  1
  Si  Si193  1  0.166949  0.502339  0.998859  1
  Si  Si194  1  0.166193  0.503304  0.336078  1
  Si  Si195  1  0.166716  0.500745  0.666342  1
  Si  Si196  1  0.166626  0.832430  0.999621  1
  Si  Si197  1  0.166864  0.832659  0.334224  1
  Si  Si198  1  0.166539  0.832438  0.665801  1
  Si  Si199  1  0.500925  0.166761  0.999612  1
  Si  Si200  1  0.500687  0.166534  0.334195  1
  Si  Si201  1  0.500932  0.166856  0.665815  1
  Si  Si202  1  0.501680  0.501940  0.999281  1
  Si  Si203  1  0.500486  0.500296  0.333584  1
  Si  Si204  1  0.500312  0.500357  0.666478  1
  Si  Si205  1  0.501145  0.832223  0.999786  1
  Si  Si206  1  0.499170  0.834267  0.333172  1
  Si  Si207  1  0.499969  0.833433  0.666270  1
  Si  Si208  1  0.830949  0.166407  0.998834  1
  Si  Si209  1  0.830046  0.167178  0.336099  1
  Si  Si210  1  0.832609  0.166678  0.666365  1
  Si  Si211  1  0.834160  0.499187  0.999811  1
  Si  Si212  1  0.831557  0.501806  0.333687  1
  Si  Si213  1  0.833264  0.500083  0.667090  1
  Si  Si214  1  0.831438  0.831650  0.999283  1
  Si  Si215  1  0.833116  0.832920  0.333588  1
  Si  Si216  1  0.833039  0.833028  0.666519  1
  Bi  Bi217  1  0.124943  0.208060  0.125358  1