# 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  0.254690  0.250000  0.083333  1
  Si  Si2  1  0.250817  0.250376  0.417441  1
  Si  Si3  1  0.250817  0.249624  0.749225  1
  Si  Si4  1  0.250817  0.584108  0.083709  1
  Si  Si5  1  0.250206  0.584673  0.418006  1
  Si  Si6  1  0.250205  0.583516  0.749817  1
  Si  Si7  1  0.250817  0.915892  0.082957  1
  Si  Si8  1  0.250205  0.916484  0.416850  1
  Si  Si9  1  0.250206  0.915327  0.748661  1
  Si  Si10  1  0.583333  0.250000  0.083333  1
  Si  Si11  1  0.583333  0.250000  0.417173  1
  Si  Si12  1  0.583333  0.250000  0.749494  1
  Si  Si13  1  0.583333  0.583840  0.083333  1
  Si  Si14  1  0.583416  0.583505  0.416838  1
  Si  Si15  1  0.583250  0.583505  0.749829  1
  Si  Si16  1  0.583333  0.916160  0.083333  1
  Si  Si17  1  0.583250  0.916495  0.416838  1
  Si  Si18  1  0.583416  0.916495  0.749829  1
  Si  Si19  1  0.911977  0.250000  0.083333  1
  Si  Si20  1  0.915849  0.249624  0.417441  1
  Si  Si21  1  0.915849  0.250376  0.749226  1
  Si  Si22  1  0.915849  0.584108  0.082957  1
  Si  Si23  1  0.916461  0.583516  0.416850  1
  Si  Si24  1  0.916461  0.584673  0.748661  1
  Si  Si25  1  0.915849  0.915892  0.083710  1
  Si  Si26  1  0.916461  0.915327  0.418006  1
  Si  Si27  1  0.916461  0.916484  0.749817  1
  Si  Si28  1  -0.000720  -0.002239  -0.000720  1
  Si  Si29  1  -0.000380  -0.002245  0.335578  1
  Si  Si30  1  -0.000102  -0.000469  0.666326  1
  Si  Si31  1  -0.006972  0.340305  -0.006972  1
  Si  Si32  1  -0.000720  0.334053  0.335572  1
  Si  Si33  1  -0.000133  0.333466  0.666394  1
  Si  Si34  1  -0.000133  0.666940  -0.000133  1
  Si  Si35  1  -0.000102  0.667008  0.333802  1
  Si  Si36  1  -0.000199  0.667356  0.665978  1
  Si  Si37  1  0.335578  -0.002245  -0.000380  1
  Si  Si38  1  0.333423  -0.000090  0.333423  1
  Si  Si39  1  0.333660  -0.000327  0.666403  1
  Si  Si40  1  0.335572  0.334053  -0.000720  1
  Si  Si41  1  0.335578  0.333713  0.335578  1
  Si  Si42  1  0.333802  0.333436  0.666326  1
  Si  Si43  1  0.333802  0.667008  -0.000102  1
  Si  Si44  1  0.333660  0.666930  0.333660  1
  Si  Si45  1  0.333605  0.666746  0.666587  1
  Si  Si46  1  0.666326  -0.000469  -0.000102  1
  Si  Si47  1  0.666403  -0.000327  0.333660  1
  Si  Si48  1  0.666587  -0.000271  0.666587  1
  Si  Si49  1  0.666394  0.333466  -0.000133  1
  Si  Si50  1  0.666326  0.333436  0.333802  1
  Si  Si51  1  0.665978  0.333532  0.665978  1
  Si  Si52  1  0.665978  0.667356  -0.000199  1
  Si  Si53  1  0.666587  0.666746  0.333605  1
  Si  Si54  1  0.666579  0.666755  0.666579  1
  Si  Si55  1  0.250047  0.083286  0.250047  1
  Si  Si56  1  0.250227  0.083107  0.583342  1
  Si  Si57  1  0.255537  0.077797  0.911130  1
  Si  Si58  1  0.255537  0.422203  0.255537  1
  Si  Si59  1  0.250227  0.416893  0.583325  1
  Si  Si60  1  0.250047  0.416714  0.916619  1
  Si  Si61  1  0.250227  0.749991  0.250227  1
  Si  Si62  1  0.250279  0.750000  0.583333  1
  Si  Si63  1  0.250227  0.750009  0.916440  1
  Si  Si64  1  0.583342  0.083107  0.250227  1
  Si  Si65  1  0.583333  0.083054  0.583333  1
  Si  Si66  1  0.583325  0.083107  0.916440  1
  Si  Si67  1  0.583325  0.416893  0.250226  1
  Si  Si68  1  0.583333  0.416946  0.583333  1
  Si  Si69  1  0.583342  0.416893  0.916440  1
  Si  Si70  1  0.583333  0.750000  0.250279  1
  Si  Si71  1  0.583333  0.750000  0.583333  1
  Si  Si72  1  0.583333  0.750000  0.916387  1
  Si  Si73  1  0.911130  0.077797  0.255537  1
  Si  Si74  1  0.916440  0.083107  0.583325  1
  Si  Si75  1  0.916619  0.083286  0.916619  1
  Si  Si76  1  0.916619  0.416714  0.250047  1
  Si  Si77  1  0.916440  0.416893  0.583342  1
  Si  Si78  1  0.911130  0.422203  0.911130  1
  Si  Si79  1  0.916440  0.750009  0.250227  1
  Si  Si80  1  0.916387  0.750000  0.583333  1
  Si  Si81  1  0.916440  0.749991  0.916440  1
  Si  Si82  1  -0.006972  0.159695  0.173638  1
  Si  Si83  1  -0.000133  0.166534  0.500273  1
  Si  Si84  1  -0.000720  0.165947  0.831095  1
  Si  Si85  1  -0.000720  0.502239  0.167386  1
  Si  Si86  1  -0.000102  0.500469  0.500341  1
  Si  Si87  1  -0.000380  0.502245  0.831088  1
  Si  Si88  1  -0.000133  0.833060  0.166799  1
  Si  Si89  1  -0.000199  0.832644  0.500689  1
  Si  Si90  1  -0.000102  0.832992  0.832865  1
  Si  Si91  1  0.335572  0.165947  0.167386  1
  Si  Si92  1  0.333802  0.166564  0.500341  1
  Si  Si93  1  0.335578  0.166287  0.831088  1
  Si  Si94  1  0.335578  0.502245  0.167047  1
  Si  Si95  1  0.333660  0.500327  0.500264  1
  Si  Si96  1  0.333423  0.500090  0.833243  1
  Si  Si97  1  0.333802  0.832992  0.166769  1
  Si  Si98  1  0.333605  0.833254  0.500079  1
  Si  Si99  1  0.333660  0.833070  0.833007  1
  Si  Si100  1  0.666394  0.166534  0.166799  1
  Si  Si101  1  0.665978  0.166468  0.500689  1
  Si  Si102  1  0.666326  0.166564  0.832864  1
  Si  Si103  1  0.666326  0.500469  0.166769  1
  Si  Si104  1  0.666587  0.500271  0.500079  1
  Si  Si105  1  0.666403  0.500327  0.833007  1
  Si  Si106  1  0.665978  0.832644  0.166865  1
  Si  Si107  1  0.666579  0.833245  0.500088  1
  Si  Si108  1  0.666587  0.833254  0.833062  1
  Si  Si109  1  0.083333  0.250000  0.254690  1
  Si  Si110  1  0.083333  0.250000  0.583333  1
  Si  Si111  1  0.083333  0.250000  0.911977  1
  Si  Si112  1  0.083709  0.584108  0.250817  1
  Si  Si113  1  0.083333  0.583840  0.583333  1
  Si  Si114  1  0.082957  0.584108  0.915849  1
  Si  Si115  1  0.082957  0.915892  0.250817  1
  Si  Si116  1  0.083333  0.916160  0.583333  1
  Si  Si117  1  0.083710  0.915892  0.915849  1
  Si  Si118  1  0.417441  0.250376  0.250818  1
  Si  Si119  1  0.417173  0.250000  0.583333  1
  Si  Si120  1  0.417441  0.249624  0.915849  1
  Si  Si121  1  0.418006  0.584673  0.250206  1
  Si  Si122  1  0.416838  0.583505  0.583416  1
  Si  Si123  1  0.416850  0.583516  0.916462  1
  Si  Si124  1  0.416850  0.916484  0.250205  1
  Si  Si125  1  0.416838  0.916495  0.583250  1
  Si  Si126  1  0.418006  0.915327  0.916461  1
  Si  Si127  1  0.749225  0.249624  0.250817  1
  Si  Si128  1  0.749494  0.250000  0.583333  1
  Si  Si129  1  0.749225  0.250376  0.915849  1
  Si  Si130  1  0.749817  0.583516  0.250205  1
  Si  Si131  1  0.749829  0.583505  0.583250  1
  Si  Si132  1  0.748661  0.584673  0.916461  1
  Si  Si133  1  0.748661  0.915327  0.250206  1
  Si  Si134  1  0.749829  0.916495  0.583416  1
  Si  Si135  1  0.749817  0.916484  0.916461  1
  Si  Si136  1  0.167386  -0.002239  0.167386  1
  Si  Si137  1  0.166769  -0.000469  0.500341  1
  Si  Si138  1  0.167047  -0.002245  0.831088  1
  Si  Si139  1  0.173638  0.340305  0.173638  1
  Si  Si140  1  0.166799  0.333466  0.500273  1
  Si  Si141  1  0.167386  0.334053  0.831095  1
  Si  Si142  1  0.166799  0.666940  0.166799  1
  Si  Si143  1  0.166865  0.667356  0.500689  1
  Si  Si144  1  0.166769  0.667008  0.832864  1
  Si  Si145  1  0.500341  -0.000469  0.166769  1
  Si  Si146  1  0.500079  -0.000271  0.500079  1
  Si  Si147  1  0.500264  -0.000327  0.833007  1
  Si  Si148  1  0.500273  0.333466  0.166799  1
  Si  Si149  1  0.500689  0.333532  0.500689  1
  Si  Si150  1  0.500341  0.333436  0.832864  1
  Si  Si151  1  0.500689  0.667356  0.166865  1
  Si  Si152  1  0.500088  0.666755  0.500088  1
  Si  Si153  1  0.500079  0.666746  0.833062  1
  Si  Si154  1  0.831088  -0.002245  0.167047  1
  Si  Si155  1  0.833007  -0.000327  0.500264  1
  Si  Si156  1  0.833243  -0.000090  0.833243  1
  Si  Si157  1  0.831095  0.334053  0.167386  1
  Si  Si158  1  0.832864  0.333436  0.500341  1
  Si  Si159  1  0.831088  0.333713  0.831088  1
  Si  Si160  1  0.832864  0.667008  0.166769  1
  Si  Si161  1  0.833062  0.666746  0.500079  1
  Si  Si162  1  0.833007  0.666930  0.833007  1
  Si  Si163  1  0.083333  0.078644  0.083333  1
  Si  Si164  1  0.082957  0.082516  0.417441  1
  Si  Si165  1  0.083709  0.082516  0.749225  1
  Si  Si166  1  0.083333  0.421356  0.083333  1
  Si  Si167  1  0.083709  0.417484  0.417441  1
  Si  Si168  1  0.082957  0.417484  0.749225  1
  Si  Si169  1  0.083333  0.750000  0.083333  1
  Si  Si170  1  0.083333  0.750000  0.417173  1
  Si  Si171  1  0.083333  0.750000  0.749494  1
  Si  Si172  1  0.417441  0.082516  0.082957  1
  Si  Si173  1  0.416850  0.083128  0.416850  1
  Si  Si174  1  0.418006  0.083127  0.748661  1
  Si  Si175  1  0.417441  0.417484  0.083710  1
  Si  Si176  1  0.418006  0.416873  0.418006  1
  Si  Si177  1  0.416850  0.416872  0.749817  1
  Si  Si178  1  0.417173  0.750000  0.083333  1
  Si  Si179  1  0.416838  0.750083  0.416838  1
  Si  Si180  1  0.416838  0.749917  0.749829  1
  Si  Si181  1  0.749225  0.082516  0.083709  1
  Si  Si182  1  0.748661  0.083127  0.418006  1
  Si  Si183  1  0.749817  0.083128  0.749817  1
  Si  Si184  1  0.749225  0.417484  0.082957  1
  Si  Si185  1  0.749817  0.416872  0.416850  1
  Si  Si186  1  0.748661  0.416873  0.748661  1
  Si  Si187  1  0.749494  0.750000  0.083333  1
  Si  Si188  1  0.749829  0.749917  0.416838  1
  Si  Si189  1  0.749829  0.750083  0.749829  1
  Si  Si190  1  0.173638  0.159695  -0.006972  1
  Si  Si191  1  0.167386  0.165947  0.335572  1
  Si  Si192  1  0.166799  0.166534  0.666394  1
  Si  Si193  1  0.167386  0.502239  -0.000720  1
  Si  Si194  1  0.167047  0.502245  0.335578  1
  Si  Si195  1  0.166769  0.500469  0.666326  1
  Si  Si196  1  0.166799  0.833060  -0.000133  1
  Si  Si197  1  0.166769  0.832992  0.333802  1
  Si  Si198  1  0.166865  0.832644  0.665978  1
  Si  Si199  1  0.500273  0.166534  -0.000133  1
  Si  Si200  1  0.500341  0.166564  0.333802  1
  Si  Si201  1  0.500689  0.166468  0.665978  1
  Si  Si202  1  0.500341  0.500469  -0.000102  1
  Si  Si203  1  0.500264  0.500327  0.333660  1
  Si  Si204  1  0.500079  0.500271  0.666587  1
  Si  Si205  1  0.500689  0.832644  -0.000199  1
  Si  Si206  1  0.500079  0.833254  0.333605  1
  Si  Si207  1  0.500088  0.833245  0.666579  1
  Si  Si208  1  0.831095  0.165947  -0.000720  1
  Si  Si209  1  0.831088  0.166287  0.335578  1
  Si  Si210  1  0.832864  0.166564  0.666326  1
  Si  Si211  1  0.831088  0.502245  -0.000380  1
  Si  Si212  1  0.833243  0.500090  0.333423  1
  Si  Si213  1  0.833007  0.500327  0.666403  1
  Si  Si214  1  0.832865  0.832992  -0.000102  1
  Si  Si215  1  0.833007  0.833070  0.333660  1
  Si  Si216  1  0.833062  0.833254  0.666587  1
  Br  Br217  1  0.083333  0.250000  0.083333  1