# generated using pymatgen
data_Si215Br
_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   Si215Br
_chemical_formula_sum   'Si215 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  0.250007  0.250027  0.417529  1
  Si  Si2  1  0.249959  0.249986  0.749165  1
  Si  Si3  1  0.250012  0.584155  0.083324  1
  Si  Si4  1  0.250165  0.584143  0.417535  1
  Si  Si5  1  0.249845  0.584254  0.749159  1
  Si  Si6  1  0.250052  0.915856  0.083297  1
  Si  Si7  1  0.249884  0.915806  0.417427  1
  Si  Si8  1  0.250144  0.915841  0.749092  1
  Si  Si9  1  0.584210  0.250021  0.083335  1
  Si  Si10  1  0.584213  0.250163  0.417524  1
  Si  Si11  1  0.584132  0.249872  0.749182  1
  Si  Si12  1  0.584199  0.584211  0.083506  1
  Si  Si13  1  0.583541  0.583395  0.416682  1
  Si  Si14  1  0.583195  0.583367  0.750028  1
  Si  Si15  1  0.584218  0.915870  0.083172  1
  Si  Si16  1  0.583316  0.916743  0.416527  1
  Si  Si17  1  0.583394  0.916614  0.749799  1
  Si  Si18  1  0.915848  0.250037  0.083344  1
  Si  Si19  1  0.915867  0.249814  0.417543  1
  Si  Si20  1  0.915806  0.250127  0.749112  1
  Si  Si21  1  0.915869  0.584098  0.083117  1
  Si  Si22  1  0.916779  0.583305  0.416686  1
  Si  Si23  1  0.916477  0.583443  0.749862  1
  Si  Si24  1  0.915896  0.915822  0.083434  1
  Si  Si25  1  0.916623  0.916460  0.416616  1
  Si  Si26  1  0.916575  0.916713  0.750066  1
  Si  Si27  1  0.998868  0.998836  0.999424  1
  Si  Si28  1  0.000029  0.999931  0.333313  1
  Si  Si29  1  0.999820  0.999805  0.666468  1
  Si  Si30  1  0.998798  0.333399  0.999897  1
  Si  Si31  1  0.998828  0.333892  0.334563  1
  Si  Si32  1  0.999786  0.333351  0.666432  1
  Si  Si33  1  0.999810  0.666875  0.999927  1
  Si  Si34  1  0.999922  0.666740  0.333379  1
  Si  Si35  1  0.999797  0.666788  0.666624  1
  Si  Si36  1  0.333410  0.998855  0.999913  1
  Si  Si37  1  0.333903  0.998860  0.334464  1
  Si  Si38  1  0.333420  0.999740  0.666366  1
  Si  Si39  1  0.346714  0.346708  0.986672  1
  Si  Si40  1  0.333409  0.333385  0.334534  1
  Si  Si41  1  0.333436  0.333495  0.666309  1
  Si  Si42  1  0.333489  0.667086  0.999870  1
  Si  Si43  1  0.333430  0.666858  0.333605  1
  Si  Si44  1  0.333464  0.667117  0.666233  1
  Si  Si45  1  0.666964  0.999804  0.999969  1
  Si  Si46  1  0.666866  0.999860  0.333321  1
  Si  Si47  1  0.666676  0.999956  0.666572  1
  Si  Si48  1  0.667094  0.333507  0.999867  1
  Si  Si49  1  0.666981  0.333383  0.333620  1
  Si  Si50  1  0.666969  0.333505  0.666289  1
  Si  Si51  1  0.667011  0.667063  0.999803  1
  Si  Si52  1  0.666751  0.666706  0.333332  1
  Si  Si53  1  0.666618  0.666673  0.666631  1
  Si  Si54  1  0.248386  0.081111  0.252242  1
  Si  Si55  1  0.250013  0.083096  0.583309  1
  Si  Si56  1  0.251630  0.081068  0.914340  1
  Si  Si57  1  0.251646  0.418950  0.252304  1
  Si  Si58  1  0.249964  0.416924  0.583399  1
  Si  Si59  1  0.248363  0.418946  0.914412  1
  Si  Si60  1  0.250066  0.749917  0.250205  1
  Si  Si61  1  0.249940  0.750125  0.583271  1
  Si  Si62  1  0.250083  0.750028  0.916391  1
  Si  Si63  1  0.583706  0.083385  0.249972  1
  Si  Si64  1  0.583498  0.083269  0.583233  1
  Si  Si65  1  0.583872  0.083012  0.916321  1
  Si  Si66  1  0.583892  0.416994  0.250371  1
  Si  Si67  1  0.583446  0.416881  0.583406  1
  Si  Si68  1  0.583659  0.416662  0.916722  1
  Si  Si69  1  0.583548  0.750085  0.250074  1
  Si  Si70  1  0.583484  0.750010  0.583194  1
  Si  Si71  1  0.583446  0.750086  0.916579  1
  Si  Si72  1  0.916276  0.082983  0.250296  1
  Si  Si73  1  0.916492  0.083111  0.583249  1
  Si  Si74  1  0.916318  0.083354  0.916675  1
  Si  Si75  1  0.916322  0.416636  0.250037  1
  Si  Si76  1  0.916472  0.416742  0.583363  1
  Si  Si77  1  0.916162  0.417019  0.916284  1
  Si  Si78  1  0.916633  0.749896  0.249968  1
  Si  Si79  1  0.916503  0.750135  0.583326  1
  Si  Si80  1  0.916490  0.749927  0.916557  1
  Si  Si81  1  0.998861  0.166658  0.166700  1
  Si  Si82  1  0.999790  0.166546  0.500227  1
  Si  Si83  1  0.998795  0.166077  0.832101  1
  Si  Si84  1  0.998815  0.501125  0.167211  1
  Si  Si85  1  0.999883  0.500111  0.500235  1
  Si  Si86  1  0.999930  0.500091  0.833256  1
  Si  Si87  1  0.999864  0.833085  0.166616  1
  Si  Si88  1  0.999929  0.833225  0.499929  1
  Si  Si89  1  0.999796  0.833209  0.833250  1
  Si  Si90  1  0.346736  0.153359  0.179988  1
  Si  Si91  1  0.333485  0.166557  0.500423  1
  Si  Si92  1  0.333384  0.166634  0.832129  1
  Si  Si93  1  0.333391  0.501196  0.166746  1
  Si  Si94  1  0.333376  0.500219  0.500268  1
  Si  Si95  1  0.333859  0.501241  0.832189  1
  Si  Si96  1  0.333477  0.832925  0.166805  1
  Si  Si97  1  0.333538  0.832976  0.500284  1
  Si  Si98  1  0.333429  0.833142  0.833019  1
  Si  Si99  1  0.667113  0.166552  0.166826  1
  Si  Si100  1  0.667103  0.166415  0.500268  1
  Si  Si101  1  0.666949  0.166651  0.833072  1
  Si  Si102  1  0.666956  0.500275  0.166746  1
  Si  Si103  1  0.666720  0.500083  0.500047  1
  Si  Si104  1  0.666709  0.500116  0.833182  1
  Si  Si105  1  0.667099  0.832955  0.166738  1
  Si  Si106  1  0.666694  0.833360  0.499850  1
  Si  Si107  1  0.666611  0.833364  0.833242  1
  Si  Si108  1  0.081080  0.248403  0.252289  1
  Si  Si109  1  0.083115  0.249956  0.583317  1
  Si  Si110  1  0.081025  0.251631  0.914339  1
  Si  Si111  1  0.083366  0.583647  0.249922  1
  Si  Si112  1  0.083181  0.583580  0.583359  1
  Si  Si113  1  0.083036  0.583836  0.916271  1
  Si  Si114  1  0.083078  0.916148  0.250276  1
  Si  Si115  1  0.083171  0.916502  0.583223  1
  Si  Si116  1  0.083362  0.916322  0.916626  1
  Si  Si117  1  0.418982  0.251666  0.252267  1
  Si  Si118  1  0.416885  0.250058  0.583355  1
  Si  Si119  1  0.418941  0.248367  0.914404  1
  Si  Si120  1  0.417049  0.583803  0.250349  1
  Si  Si121  1  0.416757  0.583575  0.583314  1
  Si  Si122  1  0.416654  0.583728  0.916703  1
  Si  Si123  1  0.416658  0.916323  0.249947  1
  Si  Si124  1  0.416820  0.916529  0.583193  1
  Si  Si125  1  0.417005  0.916223  0.916298  1
  Si  Si126  1  0.750069  0.250003  0.250258  1
  Si  Si127  1  0.749923  0.249910  0.583362  1
  Si  Si128  1  0.750029  0.250070  0.916412  1
  Si  Si129  1  0.750137  0.583474  0.250126  1
  Si  Si130  1  0.750001  0.583516  0.583240  1
  Si  Si131  1  0.749881  0.583480  0.916503  1
  Si  Si132  1  0.750062  0.916512  0.249942  1
  Si  Si133  1  0.749919  0.916641  0.583242  1
  Si  Si134  1  0.749997  0.916475  0.916573  1
  Si  Si135  1  0.166655  0.998843  0.166686  1
  Si  Si136  1  0.166656  0.999749  0.500188  1
  Si  Si137  1  0.166107  0.998834  0.832090  1
  Si  Si138  1  0.153323  0.346708  0.180019  1
  Si  Si139  1  0.166528  0.333499  0.500428  1
  Si  Si140  1  0.166603  0.333415  0.832142  1
  Si  Si141  1  0.166542  0.667052  0.166770  1
  Si  Si142  1  0.166509  0.667032  0.500359  1
  Si  Si143  1  0.166608  0.667014  0.833054  1
  Si  Si144  1  0.501205  0.998835  0.167208  1
  Si  Si145  1  0.500132  0.999936  0.500062  1
  Si  Si146  1  0.500060  0.000000  0.833273  1
  Si  Si147  1  0.501245  0.333419  0.166732  1
  Si  Si148  1  0.500269  0.333404  0.500274  1
  Si  Si149  1  0.501152  0.333921  0.832178  1
  Si  Si150  1  0.500274  0.666939  0.166740  1
  Si  Si151  1  0.500182  0.666646  0.499967  1
  Si  Si152  1  0.500074  0.666904  0.833240  1
  Si  Si153  1  0.833189  0.999811  0.166641  1
  Si  Si154  1  0.833338  0.999776  0.499917  1
  Si  Si155  1  0.833127  0.999907  0.833258  1
  Si  Si156  1  0.832949  0.333498  0.166829  1
  Si  Si157  1  0.832960  0.333410  0.500442  1
  Si  Si158  1  0.833075  0.333428  0.833005  1
  Si  Si159  1  0.833055  0.666964  0.166785  1
  Si  Si160  1  0.833344  0.666766  0.499924  1
  Si  Si161  1  0.833215  0.666690  0.833215  1
  Si  Si162  1  0.081096  0.081091  0.084945  1
  Si  Si163  1  0.083047  0.082973  0.417101  1
  Si  Si164  1  0.083282  0.083296  0.749575  1
  Si  Si165  1  0.081051  0.418921  0.081659  1
  Si  Si166  1  0.083339  0.416680  0.417071  1
  Si  Si167  1  0.082982  0.417032  0.749527  1
  Si  Si168  1  0.083216  0.750016  0.083208  1
  Si  Si169  1  0.083244  0.749880  0.416733  1
  Si  Si170  1  0.083126  0.750096  0.749837  1
  Si  Si171  1  0.418985  0.081081  0.081672  1
  Si  Si172  1  0.416634  0.083410  0.416999  1
  Si  Si173  1  0.417001  0.083004  0.749487  1
  Si  Si174  1  0.418964  0.418968  0.085001  1
  Si  Si175  1  0.417013  0.417001  0.417179  1
  Si  Si176  1  0.416584  0.416697  0.749685  1
  Si  Si177  1  0.416902  0.750008  0.083359  1
  Si  Si178  1  0.416869  0.749981  0.416810  1
  Si  Si179  1  0.416797  0.750037  0.749740  1
  Si  Si180  1  0.750087  0.083178  0.083321  1
  Si  Si181  1  0.750073  0.083124  0.416706  1
  Si  Si182  1  0.750017  0.083221  0.749800  1
  Si  Si183  1  0.750010  0.416911  0.083357  1
  Si  Si184  1  0.750088  0.416749  0.416919  1
  Si  Si185  1  0.749903  0.416827  0.749788  1
  Si  Si186  1  0.750099  0.749914  0.083305  1
  Si  Si187  1  0.750052  0.750044  0.416556  1
  Si  Si188  1  0.749851  0.750021  0.749977  1
  Si  Si189  1  0.153309  0.153331  0.986594  1
  Si  Si190  1  0.166647  0.166646  0.334505  1
  Si  Si191  1  0.166508  0.166484  0.666257  1
  Si  Si192  1  0.166599  0.501200  0.999931  1
  Si  Si193  1  0.166101  0.501177  0.334524  1
  Si  Si194  1  0.166576  0.500320  0.666466  1
  Si  Si195  1  0.166611  0.832985  0.999774  1
  Si  Si196  1  0.166660  0.833036  0.333513  1
  Si  Si197  1  0.166414  0.833022  0.666269  1
  Si  Si198  1  0.501237  0.166635  0.999937  1
  Si  Si199  1  0.501207  0.166142  0.334519  1
  Si  Si200  1  0.500241  0.166632  0.666408  1
  Si  Si201  1  0.501190  0.501215  0.999478  1
  Si  Si202  1  0.500076  0.500012  0.333367  1
  Si  Si203  1  0.500004  0.500171  0.666548  1
  Si  Si204  1  0.500202  0.833159  0.999990  1
  Si  Si205  1  0.500121  0.833205  0.333404  1
  Si  Si206  1  0.500126  0.833302  0.666478  1
  Si  Si207  1  0.832985  0.166584  0.999820  1
  Si  Si208  1  0.833182  0.166591  0.333548  1
  Si  Si209  1  0.832997  0.166428  0.666242  1
  Si  Si210  1  0.833051  0.500246  0.999897  1
  Si  Si211  1  0.833233  0.500097  0.333528  1
  Si  Si212  1  0.833216  0.500122  0.666552  1
  Si  Si213  1  0.832996  0.832942  0.999817  1
  Si  Si214  1  0.833369  0.833267  0.333209  1
  Si  Si215  1  0.833177  0.833377  0.666684  1
  Br  Br216  1  0.250020  0.250010  0.083334  1
