# 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  0.288988  0.214584  0.047963  1
  Si  Si2  1  0.249985  0.250017  0.416673  1
  Si  Si3  1  0.250096  0.249142  0.749426  1
  Si  Si4  1  0.249985  0.583343  0.083351  1
  Si  Si5  1  0.249920  0.587236  0.420566  1
  Si  Si6  1  0.249593  0.582333  0.750223  1
  Si  Si7  1  0.250084  0.916080  0.082477  1
  Si  Si8  1  0.249556  0.916877  0.415694  1
  Si  Si9  1  0.250259  0.913626  0.747045  1
  Si  Si10  1  0.583637  0.249322  0.082670  1
  Si  Si11  1  0.582610  0.249635  0.416058  1
  Si  Si12  1  0.584718  0.249098  0.747884  1
  Si  Si13  1  0.582625  0.582719  0.082975  1
  Si  Si14  1  0.583007  0.583292  0.416628  1
  Si  Si15  1  0.583153  0.582612  0.749718  1
  Si  Si16  1  0.584718  0.914558  0.082443  1
  Si  Si17  1  0.583165  0.916402  0.415987  1
  Si  Si18  1  0.583328  0.916653  0.749985  1
  Si  Si19  1  0.916051  0.250115  0.083336  1
  Si  Si20  1  0.911792  0.249207  0.420585  1
  Si  Si21  1  0.915735  0.249613  0.749542  1
  Si  Si22  1  0.911759  0.587300  0.082527  1
  Si  Si23  1  0.916492  0.583232  0.416579  1
  Si  Si24  1  0.916368  0.583013  0.750338  1
  Si  Si25  1  0.915713  0.916222  0.082968  1
  Si  Si26  1  0.916374  0.917011  0.416347  1
  Si  Si27  1  0.916661  0.916662  0.749995  1
  Si  Si28  1  0.999520  0.999401  0.999933  1
  Si  Si29  1  0.999314  0.000520  0.332623  1
  Si  Si30  1  0.999814  0.999939  0.666484  1
  Si  Si31  1  0.999176  0.333841  0.000072  1
  Si  Si32  1  0.993045  0.334910  0.339468  1
  Si  Si33  1  0.999503  0.332983  0.666692  1
  Si  Si34  1  0.999434  0.666823  0.000219  1
  Si  Si35  1  0.999401  0.667205  0.333228  1
  Si  Si36  1  0.999505  0.666565  0.667075  1
  Si  Si37  1  0.335063  0.997945  0.999346  1
  Si  Si38  1  0.332507  0.000771  0.332069  1
  Si  Si39  1  0.333182  0.999404  0.665555  1
  Si  Si40  1  0.340428  0.334668  0.993490  1
  Si  Si41  1  0.333897  0.332627  0.333515  1
  Si  Si42  1  0.333253  0.333242  0.666664  1
  Si  Si43  1  0.333444  0.666492  0.000033  1
  Si  Si44  1  0.333219  0.666805  0.333558  1
  Si  Si45  1  0.332804  0.666034  0.666598  1
  Si  Si46  1  0.666790  0.999945  0.999948  1
  Si  Si47  1  0.666546  0.999851  0.333016  1
  Si  Si48  1  0.666583  0.000107  0.666526  1
  Si  Si49  1  0.666722  0.333336  0.999866  1
  Si  Si50  1  0.666388  0.333182  0.333295  1
  Si  Si51  1  0.666347  0.333194  0.665958  1
  Si  Si52  1  0.666102  0.666108  0.999889  1
  Si  Si53  1  0.666016  0.667007  0.333370  1
  Si  Si54  1  0.666562  0.666559  0.666737  1
  Si  Si55  1  0.248486  0.084030  0.248508  1
  Si  Si56  1  0.249725  0.083134  0.582639  1
  Si  Si57  1  0.254257  0.074018  0.907353  1
  Si  Si58  1  0.253837  0.422798  0.256147  1
  Si  Si59  1  0.249985  0.416660  0.583328  1
  Si  Si60  1  0.248457  0.415104  0.917428  1
  Si  Si61  1  0.249985  0.749996  0.249993  1
  Si  Si62  1  0.249982  0.750002  0.583337  1
  Si  Si63  1  0.249690  0.749221  0.916472  1
  Si  Si64  1  0.583330  0.082488  0.249400  1
  Si  Si65  1  0.583261  0.082828  0.582267  1
  Si  Si66  1  0.583340  0.083304  0.916640  1
  Si  Si67  1  0.583326  0.416662  0.249997  1
  Si  Si68  1  0.582774  0.416451  0.583318  1
  Si  Si69  1  0.583333  0.416029  0.915846  1
  Si  Si70  1  0.582762  0.749998  0.249804  1
  Si  Si71  1  0.583327  0.749995  0.583328  1
  Si  Si72  1  0.583244  0.748922  0.916162  1
  Si  Si73  1  0.914743  0.082825  0.249762  1
  Si  Si74  1  0.916654  0.083327  0.583333  1
  Si  Si75  1  0.916656  0.083326  0.916660  1
  Si  Si76  1  0.914281  0.417461  0.250795  1
  Si  Si77  1  0.915800  0.416397  0.583621  1
  Si  Si78  1  0.914668  0.416440  0.916075  1
  Si  Si79  1  0.915793  0.750276  0.249734  1
  Si  Si80  1  0.916658  0.749996  0.583330  1
  Si  Si81  1  0.916653  0.750001  0.916660  1
  Si  Si82  1  0.999244  0.166827  0.167034  1
  Si  Si83  1  0.999432  0.166889  0.500154  1
  Si  Si84  1  0.999531  0.166590  0.832753  1
  Si  Si85  1  0.992984  0.506267  0.168329  1
  Si  Si86  1  0.999427  0.499851  0.500523  1
  Si  Si87  1  0.999314  0.499289  0.833831  1
  Si  Si88  1  0.999496  0.833353  0.166323  1
  Si  Si89  1  0.999516  0.833746  0.499902  1
  Si  Si90  1  0.999814  0.833147  0.833273  1
  Si  Si91  1  0.340386  0.160132  0.168044  1
  Si  Si92  1  0.333427  0.166700  0.499849  1
  Si  Si93  1  0.335076  0.166023  0.831298  1
  Si  Si94  1  0.333887  0.500171  0.165971  1
  Si  Si95  1  0.333214  0.500227  0.500134  1
  Si  Si96  1  0.332512  0.498707  0.834153  1
  Si  Si97  1  0.333252  0.833321  0.166573  1
  Si  Si98  1  0.332806  0.833265  0.499376  1
  Si  Si99  1  0.333207  0.832132  0.832795  1
  Si  Si100  1  0.666708  0.166519  0.166693  1
  Si  Si101  1  0.666107  0.166553  0.499441  1
  Si  Si102  1  0.666790  0.166610  0.833276  1
  Si  Si103  1  0.666400  0.499959  0.166523  1
  Si  Si104  1  0.666019  0.500035  0.500340  1
  Si  Si105  1  0.666525  0.499650  0.833177  1
  Si  Si106  1  0.666331  0.832650  0.166553  1
  Si  Si107  1  0.666564  0.833402  0.499895  1
  Si  Si108  1  0.666574  0.833180  0.833445  1
  Si  Si109  1  0.075519  0.250412  0.259224  1
  Si  Si110  1  0.083307  0.249996  0.583316  1
  Si  Si111  1  0.083653  0.248716  0.916601  1
  Si  Si112  1  0.083255  0.583642  0.250906  1
  Si  Si113  1  0.082524  0.583281  0.583922  1
  Si  Si114  1  0.082791  0.582468  0.917326  1
  Si  Si115  1  0.082863  0.917086  0.249209  1
  Si  Si116  1  0.083178  0.916664  0.583096  1
  Si  Si117  1  0.083070  0.916094  0.916238  1
  Si  Si118  1  0.417614  0.250043  0.249338  1
  Si  Si119  1  0.416666  0.249989  0.583321  1
  Si  Si120  1  0.421021  0.249802  0.911907  1
  Si  Si121  1  0.416651  0.583309  0.249957  1
  Si  Si122  1  0.416633  0.583210  0.583312  1
  Si  Si123  1  0.416161  0.582384  0.916688  1
  Si  Si124  1  0.416639  0.916627  0.249918  1
  Si  Si125  1  0.416609  0.916264  0.582383  1
  Si  Si126  1  0.417437  0.914894  0.915956  1
  Si  Si127  1  0.749984  0.249992  0.250003  1
  Si  Si128  1  0.748368  0.249534  0.583801  1
  Si  Si129  1  0.750002  0.249959  0.916649  1
  Si  Si130  1  0.748979  0.583821  0.250019  1
  Si  Si131  1  0.749988  0.583323  0.583332  1
  Si  Si132  1  0.749403  0.583084  0.916426  1
  Si  Si133  1  0.749259  0.916043  0.249634  1
  Si  Si134  1  0.749998  0.916674  0.583323  1
  Si  Si135  1  0.749999  0.916659  0.916655  1
  Si  Si136  1  0.166328  0.999790  0.165167  1
  Si  Si137  1  0.166053  0.000208  0.499177  1
  Si  Si138  1  0.165958  0.995004  0.828371  1
  Si  Si139  1  0.121500  0.389199  0.222552  1
  Si  Si140  1  0.166471  0.333443  0.499874  1
  Si  Si141  1  0.166325  0.331816  0.833129  1
  Si  Si142  1  0.166465  0.666545  0.166788  1
  Si  Si143  1  0.165462  0.668481  0.501830  1
  Si  Si144  1  0.166025  0.665791  0.833518  1
  Si  Si145  1  0.502964  0.996271  0.166177  1
  Si  Si146  1  0.499631  0.999786  0.498951  1
  Si  Si147  1  0.499906  0.999894  0.833233  1
  Si  Si148  1  0.500917  0.332866  0.166219  1
  Si  Si149  1  0.499816  0.333274  0.499815  1
  Si  Si150  1  0.502968  0.332834  0.829599  1
  Si  Si151  1  0.499818  0.666480  0.166607  1
  Si  Si152  1  0.499812  0.666678  0.500018  1
  Si  Si153  1  0.499630  0.665570  0.833126  1
  Si  Si154  1  0.832275  0.999237  0.166617  1
  Si  Si155  1  0.833156  0.000285  0.499860  1
  Si  Si156  1  0.833296  0.000078  0.833418  1
  Si  Si157  1  0.832786  0.333298  0.166624  1
  Si  Si158  1  0.830495  0.333317  0.502134  1
  Si  Si159  1  0.832237  0.333236  0.832525  1
  Si  Si160  1  0.830477  0.668817  0.166646  1
  Si  Si161  1  0.833330  0.666579  0.499917  1
  Si  Si162  1  0.833144  0.666512  0.833629  1
  Si  Si163  1  0.083644  0.083242  0.082031  1
  Si  Si164  1  0.082806  0.084006  0.415805  1
  Si  Si165  1  0.083071  0.082891  0.749445  1
  Si  Si166  1  0.075366  0.426173  0.083701  1
  Si  Si167  1  0.083251  0.417474  0.416917  1
  Si  Si168  1  0.082872  0.415862  0.750420  1
  Si  Si169  1  0.083306  0.749982  0.083329  1
  Si  Si170  1  0.082522  0.750575  0.416636  1
  Si  Si171  1  0.083159  0.749734  0.749997  1
  Si  Si172  1  0.420985  0.078562  0.083146  1
  Si  Si173  1  0.416125  0.083334  0.415765  1
  Si  Si174  1  0.417435  0.082620  0.748242  1
  Si  Si175  1  0.417612  0.415996  0.083417  1
  Si  Si176  1  0.416656  0.416631  0.416648  1
  Si  Si177  1  0.416638  0.416588  0.749969  1
  Si  Si178  1  0.416666  0.749987  0.083320  1
  Si  Si179  1  0.416638  0.749982  0.416553  1
  Si  Si180  1  0.416616  0.749005  0.749612  1
  Si  Si181  1  0.750003  0.083319  0.083305  1
  Si  Si182  1  0.749447  0.083106  0.416428  1
  Si  Si183  1  0.749998  0.083321  0.749994  1
  Si  Si184  1  0.749985  0.416668  0.083323  1
  Si  Si185  1  0.748976  0.416670  0.417156  1
  Si  Si186  1  0.749249  0.416294  0.749363  1
  Si  Si187  1  0.748330  0.750485  0.082881  1
  Si  Si188  1  0.749989  0.749999  0.416657  1
  Si  Si189  1  0.749998  0.749989  0.750007  1
  Si  Si190  1  0.167850  0.152769  0.986145  1
  Si  Si191  1  0.166661  0.167702  0.333317  1
  Si  Si192  1  0.166379  0.166270  0.666290  1
  Si  Si193  1  0.166664  0.500020  0.001014  1
  Si  Si194  1  0.167945  0.504401  0.337758  1
  Si  Si195  1  0.166045  0.499353  0.666805  1
  Si  Si196  1  0.166387  0.832941  0.999607  1
  Si  Si197  1  0.166039  0.833453  0.332689  1
  Si  Si198  1  0.166207  0.831983  0.665340  1
  Si  Si199  1  0.499805  0.166296  0.999653  1
  Si  Si200  1  0.499756  0.166132  0.332395  1
  Si  Si201  1  0.500471  0.166142  0.665361  1
  Si  Si202  1  0.499774  0.499030  0.999509  1
  Si  Si203  1  0.499743  0.499823  0.333154  1
  Si  Si204  1  0.499494  0.499768  0.666502  1
  Si  Si205  1  0.500477  0.832029  0.999482  1
  Si  Si206  1  0.499510  0.833189  0.333125  1
  Si  Si207  1  0.499734  0.833222  0.666573  1
  Si  Si208  1  0.833223  0.166751  0.000084  1
  Si  Si209  1  0.832270  0.166281  0.333573  1
  Si  Si210  1  0.832667  0.166601  0.666253  1
  Si  Si211  1  0.832247  0.500251  0.999593  1
  Si  Si212  1  0.831705  0.500391  0.333738  1
  Si  Si213  1  0.832951  0.499816  0.666863  1
  Si  Si214  1  0.832659  0.832918  0.999951  1
  Si  Si215  1  0.832953  0.833531  0.333157  1
  Si  Si216  1  0.833230  0.833294  0.666631  1
  Bi  Bi217  1  0.152767  0.273968  0.106513  1