# 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  0.260768  0.241368  0.085920  1
  Si  Si2  1  0.251391  0.247957  0.419666  1
  Si  Si3  1  0.249852  0.249669  0.750126  1
  Si  Si4  1  0.249618  0.584198  0.084102  1
  Si  Si5  1  0.249324  0.583219  0.416478  1
  Si  Si6  1  0.249406  0.582712  0.750211  1
  Si  Si7  1  0.249999  0.916195  0.083563  1
  Si  Si8  1  0.250399  0.914790  0.417879  1
  Si  Si9  1  0.249483  0.916893  0.751052  1
  Si  Si10  1  0.583540  0.249471  0.083369  1
  Si  Si11  1  0.584481  0.249497  0.417276  1
  Si  Si12  1  0.583144  0.249695  0.750120  1
  Si  Si13  1  0.582991  0.583550  0.083230  1
  Si  Si14  1  0.583036  0.582762  0.416499  1
  Si  Si15  1  0.581899  0.583679  0.749135  1
  Si  Si16  1  0.584025  0.915833  0.083011  1
  Si  Si17  1  0.583559  0.916100  0.416866  1
  Si  Si18  1  0.582792  0.916578  0.749958  1
  Si  Si19  1  0.916511  0.251433  0.082073  1
  Si  Si20  1  0.917684  0.249697  0.415812  1
  Si  Si21  1  0.915994  0.250094  0.749578  1
  Si  Si22  1  0.908871  0.590627  0.080662  1
  Si  Si23  1  0.916688  0.582804  0.415991  1
  Si  Si24  1  0.915096  0.584811  0.747841  1
  Si  Si25  1  0.916449  0.917017  0.083251  1
  Si  Si26  1  0.916195  0.916170  0.416723  1
  Si  Si27  1  0.916070  0.917195  0.749567  1
  Si  Si28  1  0.999853  0.000501  0.000240  1
  Si  Si29  1  0.999894  0.998977  0.333819  1
  Si  Si30  1  0.999870  0.000329  0.667035  1
  Si  Si31  1  0.985593  0.337997  0.985150  1
  Si  Si32  1  0.003031  0.332220  0.332720  1
  Si  Si33  1  0.999379  0.333209  0.666255  1
  Si  Si34  1  0.998387  0.668877  0.998778  1
  Si  Si35  1  0.999659  0.666483  0.332887  1
  Si  Si36  1  0.999308  0.667455  0.665324  1
  Si  Si37  1  0.332721  0.000040  0.000313  1
  Si  Si38  1  0.335217  0.996975  0.334969  1
  Si  Si39  1  0.333452  0.999357  0.667732  1
  Si  Si40  1  0.334067  0.333176  0.001680  1
  Si  Si41  1  0.337283  0.331069  0.337678  1
  Si  Si42  1  0.333243  0.332919  0.666877  1
  Si  Si43  1  0.333128  0.666662  0.999923  1
  Si  Si44  1  0.333073  0.666209  0.333299  1
  Si  Si45  1  0.332846  0.665936  0.666922  1
  Si  Si46  1  0.666650  0.000081  0.999991  1
  Si  Si47  1  0.667256  0.999526  0.333839  1
  Si  Si48  1  0.666500  0.999677  0.666811  1
  Si  Si49  1  0.665988  0.333286  0.999601  1
  Si  Si50  1  0.667107  0.332951  0.333209  1
  Si  Si51  1  0.664562  0.332703  0.664399  1
  Si  Si52  1  0.664684  0.668034  0.999515  1
  Si  Si53  1  0.666671  0.665646  0.333254  1
  Si  Si54  1  0.666093  0.666562  0.666161  1
  Si  Si55  1  0.252178  0.079176  0.251910  1
  Si  Si56  1  0.250159  0.082277  0.584702  1
  Si  Si57  1  0.248885  0.085001  0.918275  1
  Si  Si58  1  0.256829  0.419550  0.257380  1
  Si  Si59  1  0.249851  0.416171  0.583651  1
  Si  Si60  1  0.249786  0.414825  0.916240  1
  Si  Si61  1  0.250189  0.750036  0.250210  1
  Si  Si62  1  0.249622  0.749368  0.584017  1
  Si  Si63  1  0.249294  0.749866  0.916632  1
  Si  Si64  1  0.584399  0.082605  0.250355  1
  Si  Si65  1  0.583417  0.082979  0.583774  1
  Si  Si66  1  0.583041  0.082917  0.916613  1
  Si  Si67  1  0.583581  0.416251  0.250168  1
  Si  Si68  1  0.582867  0.416719  0.582320  1
  Si  Si69  1  0.582782  0.416641  0.916291  1
  Si  Si70  1  0.583746  0.749193  0.249984  1
  Si  Si71  1  0.582837  0.749722  0.583137  1
  Si  Si72  1  0.581810  0.750730  0.916029  1
  Si  Si73  1  0.916938  0.083120  0.250304  1
  Si  Si74  1  0.916301  0.083107  0.583468  1
  Si  Si75  1  0.916484  0.083634  0.916737  1
  Si  Si76  1  0.918878  0.415644  0.247024  1
  Si  Si77  1  0.916245  0.416553  0.582881  1
  Si  Si78  1  0.904646  0.421058  0.905566  1
  Si  Si79  1  0.916071  0.750133  0.249676  1
  Si  Si80  1  0.915886  0.750151  0.582306  1
  Si  Si81  1  0.915419  0.751536  0.915335  1
  Si  Si82  1  0.001419  0.166540  0.167949  1
  Si  Si83  1  0.000037  0.165977  0.500459  1
  Si  Si84  1  0.999699  0.167661  0.834153  1
  Si  Si85  1  0.991488  0.510623  0.164218  1
  Si  Si86  1  0.999712  0.499879  0.499891  1
  Si  Si87  1  0.997911  0.501416  0.830308  1
  Si  Si88  1  0.999504  0.833538  0.166614  1
  Si  Si89  1  0.999762  0.833216  0.499901  1
  Si  Si90  1  0.999497  0.834462  0.832772  1
  Si  Si91  1  0.340713  0.158709  0.169417  1
  Si  Si92  1  0.334802  0.165147  0.502146  1
  Si  Si93  1  0.332788  0.166698  0.834055  1
  Si  Si94  1  0.334153  0.499671  0.165855  1
  Si  Si95  1  0.332668  0.499398  0.499827  1
  Si  Si96  1  0.333154  0.499294  0.833577  1
  Si  Si97  1  0.333523  0.833022  0.166779  1
  Si  Si98  1  0.333668  0.831929  0.500869  1
  Si  Si99  1  0.332782  0.833074  0.833496  1
  Si  Si100  1  0.667000  0.166434  0.166720  1
  Si  Si101  1  0.667205  0.166051  0.500474  1
  Si  Si102  1  0.666148  0.166163  0.833299  1
  Si  Si103  1  0.666188  0.499970  0.166434  1
  Si  Si104  1  0.666861  0.499484  0.498951  1
  Si  Si105  1  0.664765  0.500392  0.832086  1
  Si  Si106  1  0.665943  0.833961  0.167013  1
  Si  Si107  1  0.666557  0.832812  0.500004  1
  Si  Si108  1  0.666083  0.833570  0.833118  1
  Si  Si109  1  0.088031  0.235714  0.264755  1
  Si  Si110  1  0.083155  0.249404  0.583732  1
  Si  Si111  1  0.082215  0.252978  0.917238  1
  Si  Si112  1  0.083213  0.584091  0.248389  1
  Si  Si113  1  0.082917  0.583274  0.583127  1
  Si  Si114  1  0.081038  0.587332  0.912263  1
  Si  Si115  1  0.083299  0.915995  0.250389  1
  Si  Si116  1  0.082759  0.914644  0.585567  1
  Si  Si117  1  0.082968  0.917119  0.916804  1
  Si  Si118  1  0.418872  0.248365  0.251231  1
  Si  Si119  1  0.417442  0.249340  0.584662  1
  Si  Si120  1  0.416485  0.249642  0.917170  1
  Si  Si121  1  0.416668  0.583094  0.250061  1
  Si  Si122  1  0.415907  0.582814  0.583130  1
  Si  Si123  1  0.416193  0.583029  0.916702  1
  Si  Si124  1  0.418009  0.914698  0.250495  1
  Si  Si125  1  0.416533  0.916154  0.583816  1
  Si  Si126  1  0.415687  0.916662  0.916733  1
  Si  Si127  1  0.750490  0.249861  0.249731  1
  Si  Si128  1  0.750358  0.249882  0.582933  1
  Si  Si129  1  0.748963  0.249879  0.916178  1
  Si  Si130  1  0.750053  0.582651  0.249686  1
  Si  Si131  1  0.749297  0.583486  0.582247  1
  Si  Si132  1  0.746944  0.585207  0.915039  1
  Si  Si133  1  0.750215  0.916607  0.250008  1
  Si  Si134  1  0.749642  0.916482  0.583172  1
  Si  Si135  1  0.749570  0.917181  0.916160  1
  Si  Si136  1  0.166967  0.999089  0.167377  1
  Si  Si137  1  0.167587  0.995714  0.504047  1
  Si  Si138  1  0.166344  0.000927  0.834334  1
  Si  Si139  1  0.201276  0.303246  0.200597  1
  Si  Si140  1  0.166869  0.332418  0.500714  1
  Si  Si141  1  0.165814  0.333440  0.832324  1
  Si  Si142  1  0.166321  0.667944  0.166342  1
  Si  Si143  1  0.166266  0.666587  0.500111  1
  Si  Si144  1  0.166116  0.668897  0.830763  1
  Si  Si145  1  0.502523  0.997283  0.167693  1
  Si  Si146  1  0.500425  0.999149  0.500697  1
  Si  Si147  1  0.499551  0.999559  0.833719  1
  Si  Si148  1  0.500595  0.332570  0.167133  1
  Si  Si149  1  0.500894  0.332156  0.500959  1
  Si  Si150  1  0.499658  0.332979  0.833406  1
  Si  Si151  1  0.499827  0.666579  0.166697  1
  Si  Si152  1  0.499803  0.665795  0.500170  1
  Si  Si153  1  0.498929  0.666734  0.833006  1
  Si  Si154  1  0.833389  0.000133  0.166723  1
  Si  Si155  1  0.833319  0.999686  0.500113  1
  Si  Si156  1  0.833099  0.000434  0.833127  1
  Si  Si157  1  0.832835  0.333572  0.165506  1
  Si  Si158  1  0.833837  0.332942  0.499212  1
  Si  Si159  1  0.826339  0.332539  0.826867  1
  Si  Si160  1  0.828545  0.670783  0.166775  1
  Si  Si161  1  0.832981  0.666367  0.499062  1
  Si  Si162  1  0.832232  0.667414  0.832493  1
  Si  Si163  1  0.083547  0.082853  0.084495  1
  Si  Si164  1  0.082518  0.076390  0.423130  1
  Si  Si165  1  0.082916  0.083826  0.750745  1
  Si  Si166  1  0.053172  0.451211  0.049502  1
  Si  Si167  1  0.083450  0.415837  0.417668  1
  Si  Si168  1  0.082407  0.416898  0.749284  1
  Si  Si169  1  0.082610  0.750612  0.082860  1
  Si  Si170  1  0.082966  0.749661  0.416635  1
  Si  Si171  1  0.082121  0.750941  0.749004  1
  Si  Si172  1  0.420885  0.078453  0.083267  1
  Si  Si173  1  0.417419  0.082274  0.417518  1
  Si  Si174  1  0.416321  0.083006  0.750945  1
  Si  Si175  1  0.417914  0.416303  0.083697  1
  Si  Si176  1  0.418805  0.416137  0.419207  1
  Si  Si177  1  0.416525  0.416216  0.749931  1
  Si  Si178  1  0.416535  0.749797  0.083342  1
  Si  Si179  1  0.416728  0.748932  0.417013  1
  Si  Si180  1  0.415830  0.749843  0.749854  1
  Si  Si181  1  0.750150  0.083371  0.083240  1
  Si  Si182  1  0.750435  0.083108  0.416880  1
  Si  Si183  1  0.749653  0.083350  0.749891  1
  Si  Si184  1  0.749085  0.416977  0.082604  1
  Si  Si185  1  0.750921  0.416356  0.415646  1
  Si  Si186  1  0.745640  0.417537  0.745902  1
  Si  Si187  1  0.747381  0.752414  0.082351  1
  Si  Si188  1  0.749551  0.749560  0.416238  1
  Si  Si189  1  0.749112  0.750429  0.749291  1
  Si  Si190  1  0.165702  0.168873  0.003015  1
  Si  Si191  1  0.170994  0.154728  0.344410  1
  Si  Si192  1  0.166503  0.166275  0.667086  1
  Si  Si193  1  0.169466  0.506877  0.992598  1
  Si  Si194  1  0.164859  0.499853  0.333833  1
  Si  Si195  1  0.166196  0.499903  0.666383  1
  Si  Si196  1  0.166312  0.833584  0.999837  1
  Si  Si197  1  0.166614  0.832792  0.333725  1
  Si  Si198  1  0.166711  0.832933  0.667678  1
  Si  Si199  1  0.500161  0.166008  0.000326  1
  Si  Si200  1  0.501574  0.165421  0.334683  1
  Si  Si201  1  0.500101  0.165881  0.667678  1
  Si  Si202  1  0.500008  0.500160  0.999857  1
  Si  Si203  1  0.499844  0.499275  0.333357  1
  Si  Si204  1  0.499322  0.499603  0.666043  1
  Si  Si205  1  0.499174  0.833715  0.000038  1
  Si  Si206  1  0.500707  0.831816  0.333973  1
  Si  Si207  1  0.499706  0.832898  0.666817  1
  Si  Si208  1  0.833117  0.166946  0.999723  1
  Si  Si209  1  0.833583  0.166514  0.333267  1
  Si  Si210  1  0.833117  0.166386  0.666583  1
  Si  Si211  1  0.829191  0.502241  0.998121  1
  Si  Si212  1  0.835050  0.498874  0.331734  1
  Si  Si213  1  0.832198  0.500175  0.665274  1
  Si  Si214  1  0.832633  0.834341  0.999673  1
  Si  Si215  1  0.833022  0.833016  0.333399  1
  Si  Si216  1  0.832981  0.833431  0.666258  1
  Br  Br217  1  0.088008  0.337406  0.124397  1
