# generated using pymatgen
data_Si216Br
_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   Si216Br
_chemical_formula_sum   'Si216 Br1'
_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  0.255142  0.249978  0.083337  1
  Si  Si2  1  0.250865  0.250346  0.417455  1
  Si  Si3  1  0.250845  0.249725  0.749113  1
  Si  Si4  1  0.250880  0.584212  0.083616  1
  Si  Si5  1  0.250211  0.584562  0.417902  1
  Si  Si6  1  0.250171  0.583379  0.749897  1
  Si  Si7  1  0.250934  0.915852  0.083014  1
  Si  Si8  1  0.250150  0.916483  0.416763  1
  Si  Si9  1  0.250155  0.915437  0.748683  1
  Si  Si10  1  0.583396  0.250078  0.083239  1
  Si  Si11  1  0.583344  0.249925  0.417279  1
  Si  Si12  1  0.583317  0.250055  0.749408  1
  Si  Si13  1  0.583340  0.583924  0.083360  1
  Si  Si14  1  0.583474  0.583443  0.416746  1
  Si  Si15  1  0.583192  0.583545  0.749885  1
  Si  Si16  1  0.583317  0.916115  0.083329  1
  Si  Si17  1  0.583213  0.916598  0.416840  1
  Si  Si18  1  0.583454  0.916578  0.749890  1
  Si  Si19  1  0.911536  0.250033  0.083348  1
  Si  Si20  1  0.915802  0.249660  0.417514  1
  Si  Si21  1  0.915789  0.250290  0.749152  1
  Si  Si22  1  0.915832  0.584183  0.082941  1
  Si  Si23  1  0.916434  0.583401  0.416801  1
  Si  Si24  1  0.916422  0.584665  0.748732  1
  Si  Si25  1  0.915786  0.915821  0.083733  1
  Si  Si26  1  0.916463  0.915329  0.417887  1
  Si  Si27  1  0.916471  0.916664  0.750004  1
  Si  Si28  1  0.999340  0.997597  0.999403  1
  Si  Si29  1  0.999615  0.997913  0.335428  1
  Si  Si30  1  0.999981  0.999420  0.666293  1
  Si  Si31  1  0.993456  0.339842  0.993498  1
  Si  Si32  1  0.999358  0.333972  0.335707  1
  Si  Si33  1  0.999777  0.333560  0.666426  1
  Si  Si34  1  0.999906  0.667044  0.999871  1
  Si  Si35  1  0.999952  0.666956  0.333884  1
  Si  Si36  1  0.999786  0.667347  0.666013  1
  Si  Si37  1  0.335422  0.997990  0.999608  1
  Si  Si38  1  0.333164  0.000077  0.333217  1
  Si  Si39  1  0.333492  0.999838  0.666410  1
  Si  Si40  1  0.335752  0.334017  0.999354  1
  Si  Si41  1  0.335455  0.333696  0.335356  1
  Si  Si42  1  0.333818  0.333439  0.666255  1
  Si  Si43  1  0.333820  0.667128  0.999932  1
  Si  Si44  1  0.333630  0.666875  0.333604  1
  Si  Si45  1  0.333581  0.666651  0.666658  1
  Si  Si46  1  0.666219  0.999569  0.999996  1
  Si  Si47  1  0.666474  0.999728  0.333584  1
  Si  Si48  1  0.666658  0.999841  0.666689  1
  Si  Si49  1  0.666443  0.333585  0.999794  1
  Si  Si50  1  0.666298  0.333347  0.333955  1
  Si  Si51  1  0.666054  0.333494  0.665989  1
  Si  Si52  1  0.665992  0.667333  0.999827  1
  Si  Si53  1  0.666673  0.666675  0.333484  1
  Si  Si54  1  0.666500  0.666904  0.666671  1
  Si  Si55  1  0.249824  0.083501  0.249782  1
  Si  Si56  1  0.250118  0.083186  0.583191  1
  Si  Si57  1  0.255303  0.078125  0.911376  1
  Si  Si58  1  0.255359  0.421938  0.255224  1
  Si  Si59  1  0.250174  0.416913  0.583352  1
  Si  Si60  1  0.249788  0.416471  0.916859  1
  Si  Si61  1  0.250283  0.750048  0.250199  1
  Si  Si62  1  0.250302  0.749914  0.583356  1
  Si  Si63  1  0.250200  0.749982  0.916374  1
  Si  Si64  1  0.583301  0.083109  0.250213  1
  Si  Si65  1  0.583301  0.083061  0.583411  1
  Si  Si66  1  0.583402  0.083207  0.916413  1
  Si  Si67  1  0.583474  0.416832  0.250230  1
  Si  Si68  1  0.583385  0.416948  0.583296  1
  Si  Si69  1  0.583285  0.416973  0.916441  1
  Si  Si70  1  0.583323  0.750007  0.250289  1
  Si  Si71  1  0.583272  0.750136  0.583305  1
  Si  Si72  1  0.583315  0.750054  0.916391  1
  Si  Si73  1  0.911370  0.078041  0.255340  1
  Si  Si74  1  0.916517  0.083046  0.583383  1
  Si  Si75  1  0.916869  0.083563  0.916946  1
  Si  Si76  1  0.916914  0.416470  0.249761  1
  Si  Si77  1  0.916407  0.416935  0.583287  1
  Si  Si78  1  0.911374  0.421977  0.911298  1
  Si  Si79  1  0.916509  0.749816  0.250171  1
  Si  Si80  1  0.916335  0.750035  0.583347  1
  Si  Si81  1  0.916479  0.750167  0.916508  1
  Si  Si82  1  0.993451  0.160195  0.173160  1
  Si  Si83  1  0.999867  0.166502  0.500270  1
  Si  Si84  1  0.999342  0.165996  0.830963  1
  Si  Si85  1  0.999397  0.502398  0.167255  1
  Si  Si86  1  0.999929  0.500528  0.500386  1
  Si  Si87  1  0.999594  0.502148  0.831248  1
  Si  Si88  1  0.999879  0.833067  0.166876  1
  Si  Si89  1  0.999813  0.832619  0.500599  1
  Si  Si90  1  0.999962  0.833004  0.832819  1
  Si  Si91  1  0.335795  0.165990  0.167338  1
  Si  Si92  1  0.333817  0.166663  0.500361  1
  Si  Si93  1  0.335389  0.166367  0.831249  1
  Si  Si94  1  0.335428  0.502105  0.167007  1
  Si  Si95  1  0.333614  0.500236  0.500199  1
  Si  Si96  1  0.333196  0.499866  0.833476  1
  Si  Si97  1  0.333906  0.832971  0.166718  1
  Si  Si98  1  0.333537  0.833246  0.500076  1
  Si  Si99  1  0.333582  0.833178  0.833029  1
  Si  Si100  1  0.666381  0.166571  0.166822  1
  Si  Si101  1  0.666033  0.166434  0.500701  1
  Si  Si102  1  0.666282  0.166686  0.832766  1
  Si  Si103  1  0.666303  0.500548  0.166739  1
  Si  Si104  1  0.666679  0.500222  0.500018  1
  Si  Si105  1  0.666447  0.500326  0.833040  1
  Si  Si106  1  0.666001  0.832681  0.166816  1
  Si  Si107  1  0.666598  0.833328  0.500045  1
  Si  Si108  1  0.666647  0.833381  0.833206  1
  Si  Si109  1  0.083355  0.250014  0.255017  1
  Si  Si110  1  0.083242  0.250128  0.583312  1
  Si  Si111  1  0.083325  0.249983  0.911633  1
  Si  Si112  1  0.083681  0.584149  0.250864  1
  Si  Si113  1  0.083283  0.583913  0.583336  1
  Si  Si114  1  0.083014  0.584277  0.915749  1
  Si  Si115  1  0.083051  0.915801  0.250947  1
  Si  Si116  1  0.083314  0.916054  0.583276  1
  Si  Si117  1  0.083665  0.915872  0.915797  1
  Si  Si118  1  0.417605  0.250256  0.250899  1
  Si  Si119  1  0.417192  0.250060  0.583308  1
  Si  Si120  1  0.417526  0.249749  0.915757  1
  Si  Si121  1  0.417958  0.584602  0.250176  1
  Si  Si122  1  0.416862  0.583420  0.583424  1
  Si  Si123  1  0.416688  0.583427  0.916553  1
  Si  Si124  1  0.416782  0.916573  0.250218  1
  Si  Si125  1  0.416738  0.916553  0.583289  1
  Si  Si126  1  0.417924  0.915471  0.916432  1
  Si  Si127  1  0.749150  0.249704  0.250922  1
  Si  Si128  1  0.749468  0.249908  0.583385  1
  Si  Si129  1  0.749163  0.250375  0.915741  1
  Si  Si130  1  0.750011  0.583343  0.250208  1
  Si  Si131  1  0.749743  0.583607  0.583310  1
  Si  Si132  1  0.748730  0.584660  0.916451  1
  Si  Si133  1  0.748739  0.915367  0.250164  1
  Si  Si134  1  0.749851  0.916557  0.583446  1
  Si  Si135  1  0.749871  0.916624  0.916670  1
  Si  Si136  1  0.167323  0.997571  0.167336  1
  Si  Si137  1  0.166703  0.999437  0.500346  1
  Si  Si138  1  0.167072  0.997973  0.831271  1
  Si  Si139  1  0.173223  0.339835  0.173078  1
  Si  Si140  1  0.166796  0.333516  0.500223  1
  Si  Si141  1  0.167290  0.333989  0.830949  1
  Si  Si142  1  0.166852  0.666942  0.166840  1
  Si  Si143  1  0.166858  0.667245  0.500645  1
  Si  Si144  1  0.166716  0.667091  0.832724  1
  Si  Si145  1  0.500404  0.999456  0.166746  1
  Si  Si146  1  0.499981  0.999829  0.500084  1
  Si  Si147  1  0.500218  0.999818  0.833051  1
  Si  Si148  1  0.500327  0.333463  0.166826  1
  Si  Si149  1  0.500665  0.333503  0.500630  1
  Si  Si150  1  0.500415  0.333443  0.832800  1
  Si  Si151  1  0.500629  0.667349  0.166820  1
  Si  Si152  1  0.500139  0.666679  0.500085  1
  Si  Si153  1  0.499984  0.666704  0.833212  1
  Si  Si154  1  0.831249  0.997960  0.167077  1
  Si  Si155  1  0.833116  0.999697  0.500208  1
  Si  Si156  1  0.833451  0.000146  0.833610  1
  Si  Si157  1  0.830903  0.334019  0.167340  1
  Si  Si158  1  0.832842  0.333308  0.500460  1
  Si  Si159  1  0.831261  0.333749  0.831190  1
  Si  Si160  1  0.832828  0.666973  0.166690  1
  Si  Si161  1  0.833055  0.666744  0.500046  1
  Si  Si162  1  0.833104  0.666977  0.833126  1
  Si  Si163  1  0.083319  0.078259  0.083392  1
  Si  Si164  1  0.083037  0.082449  0.417490  1
  Si  Si165  1  0.083648  0.082460  0.749144  1
  Si  Si166  1  0.083371  0.421749  0.083255  1
  Si  Si167  1  0.083637  0.417576  0.417473  1
  Si  Si168  1  0.082992  0.417583  0.749177  1
  Si  Si169  1  0.083438  0.750105  0.083371  1
  Si  Si170  1  0.083343  0.749907  0.417230  1
  Si  Si171  1  0.083302  0.750048  0.749402  1
  Si  Si172  1  0.417578  0.082461  0.083019  1
  Si  Si173  1  0.416677  0.083139  0.416776  1
  Si  Si174  1  0.417877  0.083190  0.748710  1
  Si  Si175  1  0.417551  0.417541  0.083677  1
  Si  Si176  1  0.417963  0.416846  0.417896  1
  Si  Si177  1  0.416747  0.416855  0.749904  1
  Si  Si178  1  0.417238  0.750043  0.083295  1
  Si  Si179  1  0.416840  0.750023  0.416878  1
  Si  Si180  1  0.416823  0.749922  0.749882  1
  Si  Si181  1  0.749138  0.082496  0.083680  1
  Si  Si182  1  0.748750  0.083106  0.417966  1
  Si  Si183  1  0.749957  0.083150  0.750009  1
  Si  Si184  1  0.749178  0.417612  0.083016  1
  Si  Si185  1  0.749985  0.416767  0.416838  1
  Si  Si186  1  0.748715  0.416909  0.748689  1
  Si  Si187  1  0.749418  0.749943  0.083373  1
  Si  Si188  1  0.749822  0.749957  0.416765  1
  Si  Si189  1  0.749863  0.750188  0.749940  1
  Si  Si190  1  0.173171  0.160176  0.993578  1
  Si  Si191  1  0.167330  0.166003  0.335677  1
  Si  Si192  1  0.166741  0.166584  0.666352  1
  Si  Si193  1  0.167315  0.502458  0.999281  1
  Si  Si194  1  0.167090  0.502027  0.335350  1
  Si  Si195  1  0.166678  0.500533  0.666257  1
  Si  Si196  1  0.166878  0.833121  0.999815  1
  Si  Si197  1  0.166725  0.832850  0.333867  1
  Si  Si198  1  0.166844  0.832674  0.665969  1
  Si  Si199  1  0.500281  0.166567  0.999818  1
  Si  Si200  1  0.500407  0.166535  0.333913  1
  Si  Si201  1  0.500592  0.166561  0.666016  1
  Si  Si202  1  0.500389  0.500554  0.999987  1
  Si  Si203  1  0.500249  0.500229  0.333544  1
  Si  Si204  1  0.500078  0.500173  0.666642  1
  Si  Si205  1  0.500619  0.832753  0.999798  1
  Si  Si206  1  0.500034  0.833283  0.333602  1
  Si  Si207  1  0.500040  0.833339  0.666638  1
  Si  Si208  1  0.830896  0.166059  0.999353  1
  Si  Si209  1  0.831246  0.166275  0.335430  1
  Si  Si210  1  0.832863  0.166520  0.666298  1
  Si  Si211  1  0.831277  0.502087  0.999551  1
  Si  Si212  1  0.833511  0.499783  0.333239  1
  Si  Si213  1  0.833012  0.500351  0.666418  1
  Si  Si214  1  0.832790  0.832944  0.000060  1
  Si  Si215  1  0.833111  0.833045  0.333500  1
  Si  Si216  1  0.833134  0.833368  0.666691  1
  Br  Br217  1  0.083297  0.250017  0.083339  1
