# 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  0.255252  0.250060  0.083347  1
  Si  Si2  1  0.250881  0.250235  0.417600  1
  Si  Si3  1  0.250913  0.249765  0.749118  1
  Si  Si4  1  0.250974  0.584160  0.083624  1
  Si  Si5  1  0.250141  0.584581  0.417893  1
  Si  Si6  1  0.250093  0.583512  0.749907  1
  Si  Si7  1  0.250960  0.915788  0.083062  1
  Si  Si8  1  0.250164  0.916560  0.416537  1
  Si  Si9  1  0.250103  0.915432  0.748845  1
  Si  Si10  1  0.583377  0.249975  0.083536  1
  Si  Si11  1  0.583300  0.249959  0.417277  1
  Si  Si12  1  0.583227  0.249998  0.749394  1
  Si  Si13  1  0.583308  0.583916  0.083279  1
  Si  Si14  1  0.583467  0.583412  0.416876  1
  Si  Si15  1  0.583154  0.583392  0.749941  1
  Si  Si16  1  0.583367  0.916056  0.083281  1
  Si  Si17  1  0.583211  0.916416  0.416838  1
  Si  Si18  1  0.583418  0.916728  0.749901  1
  Si  Si19  1  0.911396  0.250007  0.083339  1
  Si  Si20  1  0.915751  0.249702  0.417607  1
  Si  Si21  1  0.915707  0.250233  0.749183  1
  Si  Si22  1  0.915698  0.584215  0.083048  1
  Si  Si23  1  0.916459  0.583241  0.416786  1
  Si  Si24  1  0.916448  0.584581  0.748808  1
  Si  Si25  1  0.915751  0.915693  0.083648  1
  Si  Si26  1  0.916502  0.915386  0.417871  1
  Si  Si27  1  0.916528  0.916749  0.749949  1
  Si  Si28  1  0.999356  0.997488  0.999459  1
  Si  Si29  1  0.999653  0.997965  0.335310  1
  Si  Si30  1  0.000028  0.999471  0.666215  1
  Si  Si31  1  0.993738  0.339593  0.993723  1
  Si  Si32  1  0.999340  0.333959  0.335857  1
  Si  Si33  1  0.999794  0.333527  0.666518  1
  Si  Si34  1  0.999809  0.666935  0.999823  1
  Si  Si35  1  0.999917  0.666971  0.333944  1
  Si  Si36  1  0.999775  0.667307  0.666050  1
  Si  Si37  1  0.335347  0.998059  0.999647  1
  Si  Si38  1  0.333085  0.000170  0.332945  1
  Si  Si39  1  0.333462  0.999790  0.666550  1
  Si  Si40  1  0.335772  0.334031  0.999398  1
  Si  Si41  1  0.335278  0.333704  0.335370  1
  Si  Si42  1  0.333855  0.333348  0.666169  1
  Si  Si43  1  0.333902  0.667025  0.999941  1
  Si  Si44  1  0.333608  0.666841  0.333590  1
  Si  Si45  1  0.333447  0.666837  0.666661  1
  Si  Si46  1  0.666317  0.999429  0.999991  1
  Si  Si47  1  0.666445  0.999692  0.333666  1
  Si  Si48  1  0.666662  0.999908  0.666610  1
  Si  Si49  1  0.666381  0.333443  0.999883  1
  Si  Si50  1  0.666272  0.333328  0.333975  1
  Si  Si51  1  0.665899  0.333525  0.666052  1
  Si  Si52  1  0.666007  0.667307  0.999794  1
  Si  Si53  1  0.666652  0.666600  0.333516  1
  Si  Si54  1  0.666584  0.666733  0.666755  1
  Si  Si55  1  0.249662  0.083636  0.249658  1
  Si  Si56  1  0.250090  0.083059  0.583284  1
  Si  Si57  1  0.255169  0.078204  0.911563  1
  Si  Si58  1  0.255160  0.421829  0.255208  1
  Si  Si59  1  0.250208  0.416936  0.583378  1
  Si  Si60  1  0.249651  0.416415  0.916949  1
  Si  Si61  1  0.250292  0.750000  0.250153  1
  Si  Si62  1  0.250246  0.750112  0.583282  1
  Si  Si63  1  0.250194  0.749867  0.916453  1
  Si  Si64  1  0.583240  0.083052  0.250327  1
  Si  Si65  1  0.583254  0.083004  0.583269  1
  Si  Si66  1  0.583414  0.083157  0.916586  1
  Si  Si67  1  0.583473  0.416865  0.250286  1
  Si  Si68  1  0.583200  0.416962  0.583324  1
  Si  Si69  1  0.583182  0.416771  0.916466  1
  Si  Si70  1  0.583352  0.749948  0.250285  1
  Si  Si71  1  0.583353  0.750085  0.583488  1
  Si  Si72  1  0.583332  0.749966  0.916279  1
  Si  Si73  1  0.911552  0.078149  0.255201  1
  Si  Si74  1  0.916452  0.083169  0.583476  1
  Si  Si75  1  0.916930  0.083601  0.917041  1
  Si  Si76  1  0.916930  0.416330  0.249706  1
  Si  Si77  1  0.916394  0.416841  0.583367  1
  Si  Si78  1  0.911459  0.421825  0.911462  1
  Si  Si79  1  0.916451  0.749788  0.250206  1
  Si  Si80  1  0.916343  0.749962  0.583308  1
  Si  Si81  1  0.916433  0.750128  0.916462  1
  Si  Si82  1  0.993785  0.160443  0.172936  1
  Si  Si83  1  0.999868  0.166504  0.500314  1
  Si  Si84  1  0.999338  0.165999  0.830911  1
  Si  Si85  1  0.999317  0.502462  0.167270  1
  Si  Si86  1  0.999932  0.500509  0.500535  1
  Si  Si87  1  0.999583  0.502002  0.831355  1
  Si  Si88  1  0.999856  0.832950  0.166829  1
  Si  Si89  1  0.999811  0.832630  0.500592  1
  Si  Si90  1  0.999919  0.832994  0.832783  1
  Si  Si91  1  0.335782  0.166099  0.167302  1
  Si  Si92  1  0.333809  0.166539  0.500455  1
  Si  Si93  1  0.335279  0.166337  0.831408  1
  Si  Si94  1  0.335355  0.501954  0.167111  1
  Si  Si95  1  0.333565  0.500294  0.500194  1
  Si  Si96  1  0.332981  0.499786  0.833480  1
  Si  Si97  1  0.333940  0.832837  0.166610  1
  Si  Si98  1  0.333489  0.833369  0.499938  1
  Si  Si99  1  0.333520  0.833156  0.833168  1
  Si  Si100  1  0.666446  0.166402  0.166977  1
  Si  Si101  1  0.666009  0.166485  0.500657  1
  Si  Si102  1  0.666151  0.166687  0.832819  1
  Si  Si103  1  0.666205  0.500533  0.166651  1
  Si  Si104  1  0.666664  0.500079  0.500071  1
  Si  Si105  1  0.666396  0.500173  0.833168  1
  Si  Si106  1  0.666024  0.832695  0.166846  1
  Si  Si107  1  0.666688  0.833252  0.500117  1
  Si  Si108  1  0.666634  0.833404  0.833126  1
  Si  Si109  1  0.083325  0.250046  0.255305  1
  Si  Si110  1  0.083313  0.250092  0.583413  1
  Si  Si111  1  0.083308  0.250001  0.911375  1
  Si  Si112  1  0.083555  0.584151  0.250931  1
  Si  Si113  1  0.083293  0.583937  0.583368  1
  Si  Si114  1  0.083025  0.584255  0.915720  1
  Si  Si115  1  0.083078  0.915701  0.250897  1
  Si  Si116  1  0.083297  0.916069  0.583259  1
  Si  Si117  1  0.083590  0.915786  0.915802  1
  Si  Si118  1  0.417528  0.250242  0.251011  1
  Si  Si119  1  0.417208  0.249925  0.583311  1
  Si  Si120  1  0.417523  0.249801  0.915784  1
  Si  Si121  1  0.417950  0.584534  0.250202  1
  Si  Si122  1  0.416710  0.583594  0.583429  1
  Si  Si123  1  0.416625  0.583229  0.916490  1
  Si  Si124  1  0.416753  0.916551  0.250036  1
  Si  Si125  1  0.416616  0.916577  0.583285  1
  Si  Si126  1  0.417898  0.915461  0.916510  1
  Si  Si127  1  0.749148  0.249702  0.250989  1
  Si  Si128  1  0.749326  0.250008  0.583409  1
  Si  Si129  1  0.749091  0.250209  0.915817  1
  Si  Si130  1  0.749913  0.583267  0.250177  1
  Si  Si131  1  0.749775  0.583380  0.583395  1
  Si  Si132  1  0.748733  0.584561  0.916480  1
  Si  Si133  1  0.748773  0.915374  0.250250  1
  Si  Si134  1  0.749975  0.916614  0.583461  1
  Si  Si135  1  0.749989  0.916658  0.916458  1
  Si  Si136  1  0.167271  0.997481  0.167270  1
  Si  Si137  1  0.166711  0.999346  0.500331  1
  Si  Si138  1  0.167041  0.998043  0.831440  1
  Si  Si139  1  0.172870  0.339642  0.172913  1
  Si  Si140  1  0.166820  0.333527  0.500267  1
  Si  Si141  1  0.167255  0.333970  0.830853  1
  Si  Si142  1  0.166864  0.666814  0.166868  1
  Si  Si143  1  0.166813  0.667300  0.500668  1
  Si  Si144  1  0.166611  0.667165  0.832727  1
  Si  Si145  1  0.500472  0.999423  0.166668  1
  Si  Si146  1  0.499914  0.999741  0.499991  1
  Si  Si147  1  0.500195  0.999867  0.833186  1
  Si  Si148  1  0.500261  0.333489  0.166974  1
  Si  Si149  1  0.500566  0.333458  0.500624  1
  Si  Si150  1  0.500312  0.333391  0.832703  1
  Si  Si151  1  0.500640  0.667274  0.166820  1
  Si  Si152  1  0.500126  0.666771  0.500118  1
  Si  Si153  1  0.499920  0.666591  0.833201  1
  Si  Si154  1  0.831399  0.997939  0.167153  1
  Si  Si155  1  0.833191  0.999802  0.500188  1
  Si  Si156  1  0.833534  0.000310  0.833548  1
  Si  Si157  1  0.830822  0.333924  0.167286  1
  Si  Si158  1  0.832780  0.333285  0.500531  1
  Si  Si159  1  0.831290  0.333672  0.831388  1
  Si  Si160  1  0.832690  0.667026  0.166700  1
  Si  Si161  1  0.833103  0.666532  0.500096  1
  Si  Si162  1  0.833072  0.666910  0.833122  1
  Si  Si163  1  0.083327  0.078043  0.083365  1
  Si  Si164  1  0.083068  0.082392  0.417559  1
  Si  Si165  1  0.083597  0.082417  0.749179  1
  Si  Si166  1  0.083305  0.421997  0.083295  1
  Si  Si167  1  0.083554  0.417598  0.417591  1
  Si  Si168  1  0.083073  0.417650  0.749136  1
  Si  Si169  1  0.083437  0.749902  0.083324  1
  Si  Si170  1  0.083322  0.749925  0.417224  1
  Si  Si171  1  0.083256  0.750083  0.749386  1
  Si  Si172  1  0.417559  0.082458  0.083125  1
  Si  Si173  1  0.416578  0.083061  0.416697  1
  Si  Si174  1  0.417841  0.083186  0.748827  1
  Si  Si175  1  0.417575  0.417547  0.083678  1
  Si  Si176  1  0.417874  0.416847  0.417910  1
  Si  Si177  1  0.416586  0.416869  0.749874  1
  Si  Si178  1  0.417308  0.749945  0.083245  1
  Si  Si179  1  0.416824  0.750081  0.416800  1
  Si  Si180  1  0.416771  0.749925  0.749991  1
  Si  Si181  1  0.749173  0.082333  0.083716  1
  Si  Si182  1  0.748769  0.083142  0.417940  1
  Si  Si183  1  0.749848  0.083249  0.750005  1
  Si  Si184  1  0.749107  0.417579  0.083039  1
  Si  Si185  1  0.750007  0.416735  0.416822  1
  Si  Si186  1  0.748673  0.416787  0.748825  1
  Si  Si187  1  0.749371  0.749992  0.083326  1
  Si  Si188  1  0.749897  0.749778  0.416819  1
  Si  Si189  1  0.749929  0.750204  0.749896  1
  Si  Si190  1  0.172869  0.160457  0.993802  1
  Si  Si191  1  0.167266  0.166045  0.335807  1
  Si  Si192  1  0.166791  0.166512  0.666460  1
  Si  Si193  1  0.167262  0.502535  0.999354  1
  Si  Si194  1  0.167021  0.501965  0.335341  1
  Si  Si195  1  0.166708  0.500617  0.666230  1
  Si  Si196  1  0.166874  0.833069  0.999826  1
  Si  Si197  1  0.166701  0.832784  0.333819  1
  Si  Si198  1  0.166776  0.832760  0.666021  1
  Si  Si199  1  0.500260  0.166585  0.999927  1
  Si  Si200  1  0.500351  0.166562  0.333982  1
  Si  Si201  1  0.500572  0.166441  0.666022  1
  Si  Si202  1  0.500398  0.500486  0.999977  1
  Si  Si203  1  0.500252  0.500221  0.333627  1
  Si  Si204  1  0.499896  0.500225  0.666624  1
  Si  Si205  1  0.500682  0.832674  0.999764  1
  Si  Si206  1  0.499997  0.833282  0.333456  1
  Si  Si207  1  0.499984  0.833388  0.666718  1
  Si  Si208  1  0.830844  0.166001  0.999468  1
  Si  Si209  1  0.831372  0.166239  0.335364  1
  Si  Si210  1  0.832699  0.166650  0.666297  1
  Si  Si211  1  0.831334  0.501973  0.999577  1
  Si  Si212  1  0.833537  0.499686  0.333137  1
  Si  Si213  1  0.833045  0.500175  0.666581  1
  Si  Si214  1  0.832725  0.832917  0.999967  1
  Si  Si215  1  0.833105  0.833026  0.333580  1
  Si  Si216  1  0.833240  0.833390  0.666655  1
  Br  Br217  1  0.083302  0.250044  0.083345  1