# 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  0.249990  0.250000  0.417732  1
  Si  Si2  1  0.249991  0.250008  0.748965  1
  Si  Si3  1  0.249971  0.584423  0.083329  1
  Si  Si4  1  0.250167  0.584069  0.417438  1
  Si  Si5  1  0.249759  0.584213  0.749184  1
  Si  Si6  1  0.249972  0.915585  0.083316  1
  Si  Si7  1  0.249721  0.915837  0.417413  1
  Si  Si8  1  0.250158  0.915873  0.749137  1
  Si  Si9  1  0.584396  0.250017  0.083316  1
  Si  Si10  1  0.583986  0.250184  0.417429  1
  Si  Si11  1  0.584079  0.249773  0.749174  1
  Si  Si12  1  0.584156  0.584072  0.083433  1
  Si  Si13  1  0.583388  0.583489  0.416837  1
  Si  Si14  1  0.583313  0.583488  0.749930  1
  Si  Si15  1  0.584151  0.915819  0.083096  1
  Si  Si16  1  0.583279  0.916526  0.416550  1
  Si  Si17  1  0.583478  0.916619  0.749813  1
  Si  Si18  1  0.915615  0.249981  0.083323  1
  Si  Si19  1  0.915814  0.249769  0.417412  1
  Si  Si20  1  0.915866  0.250222  0.749166  1
  Si  Si21  1  0.915916  0.584059  0.083113  1
  Si  Si22  1  0.916438  0.583287  0.416707  1
  Si  Si23  1  0.916506  0.583427  0.749740  1
  Si  Si24  1  0.915858  0.915824  0.083476  1
  Si  Si25  1  0.916415  0.916558  0.416713  1
  Si  Si26  1  0.916541  0.916690  0.749784  1
  Si  Si27  1  0.998747  0.998726  0.999196  1
  Si  Si28  1  0.999815  0.999910  0.333426  1
  Si  Si29  1  0.999785  0.999922  0.666393  1
  Si  Si30  1  0.998591  0.333301  0.000028  1
  Si  Si31  1  0.998786  0.333989  0.334556  1
  Si  Si32  1  0.999710  0.333459  0.666404  1
  Si  Si33  1  0.999704  0.666930  0.999878  1
  Si  Si34  1  0.999775  0.666719  0.333568  1
  Si  Si35  1  0.999751  0.666750  0.666461  1
  Si  Si36  1  0.333325  0.998555  0.000043  1
  Si  Si37  1  0.334001  0.998708  0.334504  1
  Si  Si38  1  0.333374  0.999746  0.666361  1
  Si  Si39  1  0.346495  0.346537  0.986754  1
  Si  Si40  1  0.333347  0.333288  0.334778  1
  Si  Si41  1  0.333488  0.333558  0.666267  1
  Si  Si42  1  0.333465  0.667119  0.999763  1
  Si  Si43  1  0.333306  0.666860  0.333502  1
  Si  Si44  1  0.333483  0.667104  0.666361  1
  Si  Si45  1  0.666903  0.999736  0.999877  1
  Si  Si46  1  0.666831  0.999708  0.333409  1
  Si  Si47  1  0.666647  0.999953  0.666490  1
  Si  Si48  1  0.667154  0.333509  0.999796  1
  Si  Si49  1  0.666773  0.333382  0.333547  1
  Si  Si50  1  0.666937  0.333482  0.666309  1
  Si  Si51  1  0.667064  0.666902  0.999730  1
  Si  Si52  1  0.666653  0.666651  0.333420  1
  Si  Si53  1  0.666578  0.666772  0.666575  1
  Si  Si54  1  0.248118  0.080927  0.252344  1
  Si  Si55  1  0.249957  0.083054  0.583285  1
  Si  Si56  1  0.251869  0.080925  0.914292  1
  Si  Si57  1  0.251910  0.418980  0.252350  1
  Si  Si58  1  0.249986  0.416997  0.583383  1
  Si  Si59  1  0.248138  0.419116  0.914255  1
  Si  Si60  1  0.249905  0.750024  0.250256  1
  Si  Si61  1  0.249851  0.749992  0.583291  1
  Si  Si62  1  0.249919  0.750010  0.916358  1
  Si  Si63  1  0.583849  0.083214  0.250012  1
  Si  Si64  1  0.583328  0.083136  0.583229  1
  Si  Si65  1  0.583798  0.082959  0.916275  1
  Si  Si66  1  0.583738  0.417061  0.250343  1
  Si  Si67  1  0.583444  0.416846  0.583375  1
  Si  Si68  1  0.583863  0.416720  0.916542  1
  Si  Si69  1  0.583504  0.749866  0.250038  1
  Si  Si70  1  0.583346  0.750139  0.583286  1
  Si  Si71  1  0.583615  0.750043  0.916521  1
  Si  Si72  1  0.916107  0.082955  0.250321  1
  Si  Si73  1  0.916413  0.083280  0.583242  1
  Si  Si74  1  0.916193  0.083275  0.916509  1
  Si  Si75  1  0.916187  0.416719  0.250111  1
  Si  Si76  1  0.916360  0.416769  0.583275  1
  Si  Si77  1  0.916205  0.417004  0.916265  1
  Si  Si78  1  0.916498  0.749895  0.250174  1
  Si  Si79  1  0.916335  0.750016  0.583241  1
  Si  Si80  1  0.916438  0.749969  0.916383  1
  Si  Si81  1  0.998558  0.166634  0.166617  1
  Si  Si82  1  0.999760  0.166655  0.500223  1
  Si  Si83  1  0.998804  0.165985  0.832063  1
  Si  Si84  1  0.998814  0.501187  0.167407  1
  Si  Si85  1  0.999730  0.500101  0.500117  1
  Si  Si86  1  0.999850  0.500136  0.833180  1
  Si  Si87  1  0.999705  0.833058  0.166746  1
  Si  Si88  1  0.999713  0.833288  0.500013  1
  Si  Si89  1  0.999731  0.833177  0.833023  1
  Si  Si90  1  0.346452  0.153488  0.179794  1
  Si  Si91  1  0.333506  0.166475  0.500436  1
  Si  Si92  1  0.333303  0.166658  0.831905  1
  Si  Si93  1  0.333308  0.501418  0.166606  1
  Si  Si94  1  0.333409  0.500285  0.500273  1
  Si  Si95  1  0.334035  0.501311  0.832074  1
  Si  Si96  1  0.333488  0.832845  0.166814  1
  Si  Si97  1  0.333421  0.832959  0.500266  1
  Si  Si98  1  0.333355  0.833131  0.833095  1
  Si  Si99  1  0.667123  0.166483  0.166805  1
  Si  Si100  1  0.666837  0.166427  0.500236  1
  Si  Si101  1  0.666878  0.166593  0.833056  1
  Si  Si102  1  0.666899  0.500188  0.166677  1
  Si  Si103  1  0.666619  0.500113  0.500068  1
  Si  Si104  1  0.666828  0.500167  0.833043  1
  Si  Si105  1  0.667016  0.832878  0.166751  1
  Si  Si106  1  0.666628  0.833328  0.499937  1
  Si  Si107  1  0.666738  0.833349  0.833149  1
  Si  Si108  1  0.080959  0.248092  0.252344  1
  Si  Si109  1  0.083050  0.250067  0.583343  1
  Si  Si110  1  0.080979  0.251878  0.914274  1
  Si  Si111  1  0.083285  0.583793  0.250099  1
  Si  Si112  1  0.083064  0.583494  0.583249  1
  Si  Si113  1  0.082917  0.583834  0.916268  1
  Si  Si114  1  0.082887  0.916195  0.250360  1
  Si  Si115  1  0.083057  0.916506  0.583236  1
  Si  Si116  1  0.083224  0.916151  0.916473  1
  Si  Si117  1  0.419030  0.251825  0.252341  1
  Si  Si118  1  0.416871  0.250028  0.583363  1
  Si  Si119  1  0.419038  0.248165  0.914249  1
  Si  Si120  1  0.416998  0.583799  0.250329  1
  Si  Si121  1  0.416763  0.583645  0.583327  1
  Si  Si122  1  0.416750  0.583872  0.916561  1
  Si  Si123  1  0.416734  0.916144  0.249991  1
  Si  Si124  1  0.416720  0.916418  0.583273  1
  Si  Si125  1  0.417046  0.916179  0.916299  1
  Si  Si126  1  0.749946  0.250040  0.250252  1
  Si  Si127  1  0.749845  0.249981  0.583200  1
  Si  Si128  1  0.749995  0.249957  0.916370  1
  Si  Si129  1  0.749917  0.583486  0.250082  1
  Si  Si130  1  0.749826  0.583464  0.583323  1
  Si  Si131  1  0.750067  0.583472  0.916347  1
  Si  Si132  1  0.750017  0.916352  0.250059  1
  Si  Si133  1  0.749889  0.916665  0.583165  1
  Si  Si134  1  0.750032  0.916550  0.916419  1
  Si  Si135  1  0.166638  0.998539  0.166628  1
  Si  Si136  1  0.166539  0.999746  0.500193  1
  Si  Si137  1  0.165949  0.998780  0.832062  1
  Si  Si138  1  0.153569  0.346406  0.179801  1
  Si  Si139  1  0.166522  0.333546  0.500472  1
  Si  Si140  1  0.166669  0.333361  0.831896  1
  Si  Si141  1  0.166432  0.667135  0.166831  1
  Si  Si142  1  0.166406  0.666933  0.500264  1
  Si  Si143  1  0.166494  0.666952  0.833035  1
  Si  Si144  1  0.501247  0.998749  0.167332  1
  Si  Si145  1  0.500075  0.999713  0.500059  1
  Si  Si146  1  0.500098  0.999888  0.833202  1
  Si  Si147  1  0.501388  0.333323  0.166617  1
  Si  Si148  1  0.500204  0.333419  0.500284  1
  Si  Si149  1  0.501224  0.334072  0.832074  1
  Si  Si150  1  0.500232  0.666819  0.166641  1
  Si  Si151  1  0.500078  0.666811  0.500036  1
  Si  Si152  1  0.500191  0.666947  0.833181  1
  Si  Si153  1  0.833070  0.999705  0.166685  1
  Si  Si154  1  0.833221  0.999945  0.499967  1
  Si  Si155  1  0.833146  0.999906  0.833026  1
  Si  Si156  1  0.832908  0.333512  0.166853  1
  Si  Si157  1  0.832909  0.333483  0.500232  1
  Si  Si158  1  0.833086  0.333388  0.833079  1
  Si  Si159  1  0.833056  0.666907  0.166840  1
  Si  Si160  1  0.833134  0.666658  0.499974  1
  Si  Si161  1  0.833236  0.666748  0.833017  1
  Si  Si162  1  0.080924  0.080907  0.085114  1
  Si  Si163  1  0.082915  0.082975  0.417128  1
  Si  Si164  1  0.083268  0.083282  0.749460  1
  Si  Si165  1  0.081001  0.419005  0.081496  1
  Si  Si166  1  0.083247  0.416689  0.417146  1
  Si  Si167  1  0.082943  0.417074  0.749496  1
  Si  Si168  1  0.083006  0.750013  0.083291  1
  Si  Si169  1  0.083053  0.749976  0.416871  1
  Si  Si170  1  0.083074  0.749985  0.749692  1
  Si  Si171  1  0.419062  0.080965  0.081455  1
  Si  Si172  1  0.416664  0.083204  0.417107  1
  Si  Si173  1  0.416994  0.082932  0.749500  1
  Si  Si174  1  0.419029  0.419046  0.085124  1
  Si  Si175  1  0.417016  0.417059  0.417176  1
  Si  Si176  1  0.416733  0.416809  0.749510  1
  Si  Si177  1  0.416913  0.749952  0.083280  1
  Si  Si178  1  0.416703  0.749920  0.416778  1
  Si  Si179  1  0.416827  0.750123  0.749834  1
  Si  Si180  1  0.749999  0.083040  0.083281  1
  Si  Si181  1  0.749881  0.083149  0.416767  1
  Si  Si182  1  0.749930  0.083252  0.749686  1
  Si  Si183  1  0.750060  0.416921  0.083287  1
  Si  Si184  1  0.749815  0.416799  0.416825  1
  Si  Si185  1  0.750004  0.416758  0.749745  1
  Si  Si186  1  0.750093  0.749878  0.083236  1
  Si  Si187  1  0.749853  0.749950  0.416697  1
  Si  Si188  1  0.749920  0.750085  0.749754  1
  Si  Si189  1  0.153507  0.153483  0.986834  1
  Si  Si190  1  0.166683  0.166667  0.334751  1
  Si  Si191  1  0.166492  0.166525  0.666192  1
  Si  Si192  1  0.166654  0.501454  0.000014  1
  Si  Si193  1  0.165976  0.501137  0.334527  1
  Si  Si194  1  0.166540  0.500321  0.666407  1
  Si  Si195  1  0.166424  0.832901  0.999781  1
  Si  Si196  1  0.166468  0.833069  0.333581  1
  Si  Si197  1  0.166379  0.833048  0.666277  1
  Si  Si198  1  0.501431  0.166716  0.999996  1
  Si  Si199  1  0.501186  0.165864  0.334495  1
  Si  Si200  1  0.500173  0.166577  0.666403  1
  Si  Si201  1  0.501232  0.501207  0.999202  1
  Si  Si202  1  0.500078  0.500147  0.333470  1
  Si  Si203  1  0.500116  0.500269  0.666472  1
  Si  Si204  1  0.500256  0.833051  0.999910  1
  Si  Si205  1  0.500106  0.833022  0.333386  1
  Si  Si206  1  0.500105  0.833368  0.666606  1
  Si  Si207  1  0.832912  0.166455  0.999783  1
  Si  Si208  1  0.833009  0.166582  0.333535  1
  Si  Si209  1  0.832953  0.166571  0.666261  1
  Si  Si210  1  0.833129  0.500239  0.999862  1
  Si  Si211  1  0.833021  0.500107  0.333463  1
  Si  Si212  1  0.833181  0.500126  0.666520  1
  Si  Si213  1  0.833005  0.833001  0.999723  1
  Si  Si214  1  0.833241  0.833184  0.333425  1
  Si  Si215  1  0.833168  0.833415  0.666506  1
  Br  Br216  1  0.249995  0.249957  0.083332  1
