# 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  0.249849  0.250221  0.084654  1
  Si  Si2  1  0.255672  0.249084  0.421509  1
  Si  Si3  1  0.250006  0.250493  0.749944  1
  Si  Si4  1  0.250112  0.583881  0.082740  1
  Si  Si5  1  0.250697  0.584570  0.416652  1
  Si  Si6  1  0.250244  0.583578  0.749937  1
  Si  Si7  1  0.248939  0.917321  0.082729  1
  Si  Si8  1  0.250015  0.917212  0.415986  1
  Si  Si9  1  0.250103  0.917120  0.749536  1
  Si  Si10  1  0.583476  0.250292  0.082801  1
  Si  Si11  1  0.584020  0.250349  0.415979  1
  Si  Si12  1  0.583240  0.250388  0.749059  1
  Si  Si13  1  0.583247  0.584010  0.082943  1
  Si  Si14  1  0.584055  0.583520  0.416102  1
  Si  Si15  1  0.583757  0.583380  0.749591  1
  Si  Si16  1  0.582806  0.916101  0.082674  1
  Si  Si17  1  0.583516  0.917070  0.415992  1
  Si  Si18  1  0.583510  0.917100  0.749438  1
  Si  Si19  1  0.908058  0.250730  0.074156  1
  Si  Si20  1  0.918713  0.250027  0.415734  1
  Si  Si21  1  0.917058  0.250289  0.749322  1
  Si  Si22  1  0.917164  0.582889  0.083057  1
  Si  Si23  1  0.916776  0.583855  0.416088  1
  Si  Si24  1  0.917006  0.583960  0.749139  1
  Si  Si25  1  0.916553  0.917350  0.082493  1
  Si  Si26  1  0.916825  0.917148  0.415072  1
  Si  Si27  1  0.916743  0.916096  0.748811  1
  Si  Si28  1  0.000940  0.995436  0.994580  1
  Si  Si29  1  0.000582  0.999700  0.332122  1
  Si  Si30  1  0.000192  0.999867  0.666010  1
  Si  Si31  1  0.999452  0.333027  0.999639  1
  Si  Si32  1  0.001618  0.338059  0.338204  1
  Si  Si33  1  0.000441  0.333661  0.666115  1
  Si  Si34  1  0.999976  0.666276  0.999466  1
  Si  Si35  1  0.000100  0.666830  0.332798  1
  Si  Si36  1  0.000097  0.667639  0.666215  1
  Si  Si37  1  0.332538  0.000528  0.999723  1
  Si  Si38  1  0.333267  0.000610  0.332945  1
  Si  Si39  1  0.333380  0.000134  0.666583  1
  Si  Si40  1  0.332755  0.333508  0.000894  1
  Si  Si41  1  0.333891  0.333696  0.333864  1
  Si  Si42  1  0.333887  0.333834  0.666798  1
  Si  Si43  1  0.333099  0.666869  0.999696  1
  Si  Si44  1  0.334011  0.667283  0.332928  1
  Si  Si45  1  0.333460  0.666882  0.666248  1
  Si  Si46  1  0.665818  0.999394  0.999226  1
  Si  Si47  1  0.666684  0.999848  0.332609  1
  Si  Si48  1  0.666978  0.000150  0.665618  1
  Si  Si49  1  0.666639  0.333382  0.999200  1
  Si  Si50  1  0.667596  0.333341  0.332392  1
  Si  Si51  1  0.667384  0.333363  0.665838  1
  Si  Si52  1  0.666778  0.666454  0.999231  1
  Si  Si53  1  0.666893  0.666723  0.332557  1
  Si  Si54  1  0.667101  0.666606  0.665865  1
  Si  Si55  1  0.250249  0.083415  0.249229  1
  Si  Si56  1  0.250650  0.083502  0.583324  1
  Si  Si57  1  0.248600  0.083978  0.917242  1
  Si  Si58  1  0.254922  0.422009  0.250710  1
  Si  Si59  1  0.250452  0.417040  0.583403  1
  Si  Si60  1  0.249538  0.416838  0.917257  1
  Si  Si61  1  0.250190  0.750157  0.249468  1
  Si  Si62  1  0.250197  0.750723  0.583097  1
  Si  Si63  1  0.249949  0.749742  0.916365  1
  Si  Si64  1  0.583464  0.083260  0.249399  1
  Si  Si65  1  0.583892  0.083765  0.582488  1
  Si  Si66  1  0.583096  0.083367  0.915982  1
  Si  Si67  1  0.583960  0.416902  0.249434  1
  Si  Si68  1  0.584291  0.416959  0.582783  1
  Si  Si69  1  0.583416  0.416660  0.916404  1
  Si  Si70  1  0.582746  0.749482  0.249588  1
  Si  Si71  1  0.583750  0.750262  0.582614  1
  Si  Si72  1  0.583228  0.750054  0.916218  1
  Si  Si73  1  0.912146  0.077214  0.249952  1
  Si  Si74  1  0.917272  0.083343  0.582425  1
  Si  Si75  1  0.916751  0.081781  0.914831  1
  Si  Si76  1  0.918405  0.415366  0.249061  1
  Si  Si77  1  0.917337  0.417302  0.582875  1
  Si  Si78  1  0.917317  0.416628  0.915616  1
  Si  Si79  1  0.916683  0.749836  0.249277  1
  Si  Si80  1  0.917103  0.750306  0.582129  1
  Si  Si81  1  0.916636  0.749565  0.916020  1
  Si  Si82  1  0.948749  0.110657  0.115445  1
  Si  Si83  1  0.000925  0.167192  0.499669  1
  Si  Si84  1  0.999774  0.166474  0.832459  1
  Si  Si85  1  0.000698  0.500236  0.166581  1
  Si  Si86  1  0.999965  0.503969  0.502589  1
  Si  Si87  1  0.000006  0.500706  0.832475  1
  Si  Si88  1  0.999510  0.833330  0.165483  1
  Si  Si89  1  0.000165  0.834023  0.498823  1
  Si  Si90  1  0.999730  0.831239  0.830740  1
  Si  Si91  1  0.333765  0.167250  0.166809  1
  Si  Si92  1  0.337939  0.166417  0.503884  1
  Si  Si93  1  0.332712  0.166878  0.833502  1
  Si  Si94  1  0.336625  0.503908  0.165887  1
  Si  Si95  1  0.333700  0.500243  0.499577  1
  Si  Si96  1  0.333152  0.500018  0.833670  1
  Si  Si97  1  0.332755  0.834137  0.166019  1
  Si  Si98  1  0.333517  0.833997  0.499461  1
  Si  Si99  1  0.332897  0.833478  0.832989  1
  Si  Si100  1  0.666530  0.166442  0.165635  1
  Si  Si101  1  0.667615  0.166795  0.498719  1
  Si  Si102  1  0.665187  0.166671  0.831095  1
  Si  Si103  1  0.666671  0.500740  0.165906  1
  Si  Si104  1  0.667737  0.500015  0.499092  1
  Si  Si105  1  0.666970  0.499584  0.832842  1
  Si  Si106  1  0.664706  0.831187  0.165696  1
  Si  Si107  1  0.667024  0.833512  0.498849  1
  Si  Si108  1  0.666762  0.833375  0.832722  1
  Si  Si109  1  0.141288  0.299026  0.307497  1
  Si  Si110  1  0.084211  0.250696  0.582760  1
  Si  Si111  1  0.082400  0.250005  0.916332  1
  Si  Si112  1  0.083729  0.583994  0.249710  1
  Si  Si113  1  0.083768  0.585278  0.584572  1
  Si  Si114  1  0.083569  0.583618  0.916027  1
  Si  Si115  1  0.083066  0.916027  0.249070  1
  Si  Si116  1  0.083723  0.917109  0.582405  1
  Si  Si117  1  0.083601  0.913095  0.912098  1
  Si  Si118  1  0.417033  0.250664  0.250026  1
  Si  Si119  1  0.419271  0.250671  0.585223  1
  Si  Si120  1  0.416072  0.250437  0.916775  1
  Si  Si121  1  0.418572  0.585251  0.249657  1
  Si  Si122  1  0.416992  0.583536  0.582817  1
  Si  Si123  1  0.416638  0.583463  0.916833  1
  Si  Si124  1  0.416422  0.917120  0.249562  1
  Si  Si125  1  0.416935  0.917333  0.582858  1
  Si  Si126  1  0.416019  0.917040  0.916382  1
  Si  Si127  1  0.750262  0.249927  0.248432  1
  Si  Si128  1  0.751014  0.250343  0.581973  1
  Si  Si129  1  0.746895  0.250408  0.912713  1
  Si  Si130  1  0.750312  0.583518  0.249524  1
  Si  Si131  1  0.750857  0.583415  0.582566  1
  Si  Si132  1  0.750348  0.582906  0.916235  1
  Si  Si133  1  0.746185  0.912940  0.249512  1
  Si  Si134  1  0.750455  0.917030  0.582000  1
  Si  Si135  1  0.750109  0.916620  0.916095  1
  Si  Si136  1  0.165925  0.999822  0.166576  1
  Si  Si137  1  0.167016  0.000668  0.499225  1
  Si  Si138  1  0.166726  0.999988  0.832602  1
  Si  Si139  1  0.172674  0.338619  0.167468  1
  Si  Si140  1  0.167824  0.333765  0.499453  1
  Si  Si141  1  0.166353  0.333353  0.833569  1
  Si  Si142  1  0.166758  0.666835  0.166038  1
  Si  Si143  1  0.167035  0.667288  0.500011  1
  Si  Si144  1  0.166579  0.666803  0.832651  1
  Si  Si145  1  0.500011  0.999924  0.166063  1
  Si  Si146  1  0.500609  0.000159  0.499268  1
  Si  Si147  1  0.499649  0.000137  0.832886  1
  Si  Si148  1  0.500263  0.333661  0.166196  1
  Si  Si149  1  0.500929  0.333743  0.499837  1
  Si  Si150  1  0.499965  0.333389  0.833105  1
  Si  Si151  1  0.500259  0.667658  0.166070  1
  Si  Si152  1  0.500367  0.666886  0.499256  1
  Si  Si153  1  0.499941  0.666584  0.832931  1
  Si  Si154  1  0.828602  0.995336  0.166900  1
  Si  Si155  1  0.833865  0.000460  0.498579  1
  Si  Si156  1  0.833270  0.999355  0.831801  1
  Si  Si157  1  0.833408  0.332960  0.165356  1
  Si  Si158  1  0.835051  0.333480  0.498591  1
  Si  Si159  1  0.833486  0.333372  0.832502  1
  Si  Si160  1  0.833536  0.666283  0.165860  1
  Si  Si161  1  0.833683  0.666845  0.499028  1
  Si  Si162  1  0.833370  0.666451  0.832693  1
  Si  Si163  1  0.083498  0.077518  0.078446  1
  Si  Si164  1  0.083381  0.083441  0.416168  1
  Si  Si165  1  0.083523  0.083364  0.749360  1
  Si  Si166  1  0.083347  0.415682  0.084257  1
  Si  Si167  1  0.084347  0.421944  0.420642  1
  Si  Si168  1  0.083597  0.416940  0.749839  1
  Si  Si169  1  0.083326  0.749858  0.082601  1
  Si  Si170  1  0.083627  0.750140  0.416160  1
  Si  Si171  1  0.083563  0.749591  0.748629  1
  Si  Si172  1  0.416450  0.083439  0.083074  1
  Si  Si173  1  0.417356  0.083517  0.416551  1
  Si  Si174  1  0.416525  0.083800  0.749852  1
  Si  Si175  1  0.416948  0.417325  0.083223  1
  Si  Si176  1  0.417667  0.417075  0.416424  1
  Si  Si177  1  0.416887  0.417092  0.750133  1
  Si  Si178  1  0.416181  0.750401  0.083041  1
  Si  Si179  1  0.417128  0.750758  0.416074  1
  Si  Si180  1  0.416695  0.750355  0.749627  1
  Si  Si181  1  0.748972  0.081782  0.082662  1
  Si  Si182  1  0.751238  0.083790  0.414650  1
  Si  Si183  1  0.750105  0.083386  0.749051  1
  Si  Si184  1  0.749668  0.416625  0.083094  1
  Si  Si185  1  0.751344  0.416841  0.415508  1
  Si  Si186  1  0.750622  0.416625  0.749356  1
  Si  Si187  1  0.750003  0.749556  0.082550  1
  Si  Si188  1  0.750438  0.749803  0.415920  1
  Si  Si189  1  0.750359  0.750091  0.749197  1
  Si  Si190  1  0.165148  0.167739  0.001353  1
  Si  Si191  1  0.173577  0.164427  0.339489  1
  Si  Si192  1  0.167056  0.166949  0.666342  1
  Si  Si193  1  0.165989  0.500372  0.000320  1
  Si  Si194  1  0.167679  0.501987  0.333769  1
  Si  Si195  1  0.167047  0.500472  0.666593  1
  Si  Si196  1  0.166490  0.833144  0.998981  1
  Si  Si197  1  0.166918  0.833441  0.332859  1
  Si  Si198  1  0.166705  0.833849  0.666239  1
  Si  Si199  1  0.499846  0.166851  0.999665  1
  Si  Si200  1  0.500472  0.166851  0.332952  1
  Si  Si201  1  0.501062  0.166781  0.667014  1
  Si  Si202  1  0.500328  0.500060  0.999721  1
  Si  Si203  1  0.500690  0.500491  0.332891  1
  Si  Si204  1  0.500391  0.500023  0.666221  1
  Si  Si205  1  0.499391  0.833303  0.999471  1
  Si  Si206  1  0.500268  0.833842  0.332533  1
  Si  Si207  1  0.500222  0.833610  0.666068  1
  Si  Si208  1  0.827837  0.164015  0.993730  1
  Si  Si209  1  0.835114  0.167603  0.331328  1
  Si  Si210  1  0.833864  0.166792  0.665779  1
  Si  Si211  1  0.833681  0.499456  0.999551  1
  Si  Si212  1  0.834584  0.500147  0.331925  1
  Si  Si213  1  0.833782  0.500017  0.666234  1
  Si  Si214  1  0.833553  0.833170  0.999544  1
  Si  Si215  1  0.833095  0.833125  0.332471  1
  Si  Si216  1  0.833581  0.833296  0.665311  1
  Bi  Bi217  1  0.029900  0.237815  0.193395  1
