# 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  0.260743  0.241261  0.085843  1
  Si  Si2  1  0.251432  0.247934  0.419693  1
  Si  Si3  1  0.249871  0.249656  0.750181  1
  Si  Si4  1  0.249559  0.584108  0.084135  1
  Si  Si5  1  0.249283  0.583068  0.416399  1
  Si  Si6  1  0.249410  0.582653  0.750266  1
  Si  Si7  1  0.250056  0.916148  0.083595  1
  Si  Si8  1  0.250545  0.914644  0.418023  1
  Si  Si9  1  0.249519  0.916820  0.751038  1
  Si  Si10  1  0.583642  0.249501  0.083374  1
  Si  Si11  1  0.584444  0.249489  0.417263  1
  Si  Si12  1  0.583091  0.249779  0.750095  1
  Si  Si13  1  0.582969  0.583563  0.083117  1
  Si  Si14  1  0.583072  0.582747  0.416442  1
  Si  Si15  1  0.581808  0.583817  0.749001  1
  Si  Si16  1  0.584003  0.915777  0.082992  1
  Si  Si17  1  0.583614  0.916142  0.416841  1
  Si  Si18  1  0.582920  0.916719  0.750028  1
  Si  Si19  1  0.916494  0.251423  0.082108  1
  Si  Si20  1  0.917724  0.249676  0.415841  1
  Si  Si21  1  0.916021  0.250099  0.749610  1
  Si  Si22  1  0.908846  0.590618  0.080677  1
  Si  Si23  1  0.916671  0.582862  0.415993  1
  Si  Si24  1  0.915096  0.584745  0.747852  1
  Si  Si25  1  0.916525  0.917018  0.083252  1
  Si  Si26  1  0.916252  0.916109  0.416790  1
  Si  Si27  1  0.916086  0.917176  0.749605  1
  Si  Si28  1  0.999873  0.000526  0.000202  1
  Si  Si29  1  0.999878  0.998934  0.333832  1
  Si  Si30  1  0.999926  0.000337  0.667080  1
  Si  Si31  1  0.985566  0.337965  0.985156  1
  Si  Si32  1  0.002941  0.332242  0.332719  1
  Si  Si33  1  0.999346  0.333224  0.666228  1
  Si  Si34  1  0.998318  0.668916  0.998727  1
  Si  Si35  1  0.999680  0.666548  0.332850  1
  Si  Si36  1  0.999336  0.667393  0.665348  1
  Si  Si37  1  0.332801  0.000019  0.000318  1
  Si  Si38  1  0.335149  0.996955  0.335026  1
  Si  Si39  1  0.333492  0.999330  0.667740  1
  Si  Si40  1  0.333960  0.333149  0.001651  1
  Si  Si41  1  0.337315  0.331075  0.337705  1
  Si  Si42  1  0.333192  0.332972  0.666890  1
  Si  Si43  1  0.333076  0.666646  0.000018  1
  Si  Si44  1  0.333050  0.666105  0.333285  1
  Si  Si45  1  0.332839  0.665858  0.666989  1
  Si  Si46  1  0.666627  0.000113  0.000031  1
  Si  Si47  1  0.667288  0.999564  0.333813  1
  Si  Si48  1  0.666582  0.999786  0.666781  1
  Si  Si49  1  0.666023  0.333387  0.999562  1
  Si  Si50  1  0.667018  0.333007  0.333188  1
  Si  Si51  1  0.664574  0.332738  0.664403  1
  Si  Si52  1  0.664686  0.668046  0.999397  1
  Si  Si53  1  0.666670  0.665746  0.333287  1
  Si  Si54  1  0.666041  0.666689  0.666042  1
  Si  Si55  1  0.252185  0.079119  0.251897  1
  Si  Si56  1  0.250195  0.082179  0.584721  1
  Si  Si57  1  0.248992  0.084917  0.918286  1
  Si  Si58  1  0.256820  0.419405  0.257377  1
  Si  Si59  1  0.249847  0.416152  0.583599  1
  Si  Si60  1  0.249689  0.414763  0.916287  1
  Si  Si61  1  0.250137  0.749892  0.250240  1
  Si  Si62  1  0.249689  0.749214  0.584052  1
  Si  Si63  1  0.249349  0.749814  0.916692  1
  Si  Si64  1  0.584452  0.082593  0.250362  1
  Si  Si65  1  0.583479  0.083030  0.583779  1
  Si  Si66  1  0.583082  0.082938  0.916661  1
  Si  Si67  1  0.583534  0.416262  0.250114  1
  Si  Si68  1  0.582874  0.416746  0.582414  1
  Si  Si69  1  0.582836  0.416714  0.916243  1
  Si  Si70  1  0.583697  0.749177  0.250030  1
  Si  Si71  1  0.582849  0.749832  0.583035  1
  Si  Si72  1  0.581823  0.750709  0.915956  1
  Si  Si73  1  0.916961  0.083061  0.250330  1
  Si  Si74  1  0.916422  0.083122  0.583496  1
  Si  Si75  1  0.916507  0.083618  0.916703  1
  Si  Si76  1  0.918762  0.415687  0.247108  1
  Si  Si77  1  0.916210  0.416580  0.582894  1
  Si  Si78  1  0.904703  0.421039  0.905614  1
  Si  Si79  1  0.916082  0.750223  0.249682  1
  Si  Si80  1  0.915944  0.750100  0.582403  1
  Si  Si81  1  0.915386  0.751544  0.915325  1
  Si  Si82  1  0.001383  0.166528  0.167917  1
  Si  Si83  1  0.000082  0.165990  0.500421  1
  Si  Si84  1  0.999707  0.167696  0.834134  1
  Si  Si85  1  0.991325  0.510635  0.164272  1
  Si  Si86  1  0.999678  0.499889  0.499839  1
  Si  Si87  1  0.997919  0.501442  0.830283  1
  Si  Si88  1  0.999548  0.833591  0.166599  1
  Si  Si89  1  0.999809  0.833155  0.499950  1
  Si  Si90  1  0.999500  0.834452  0.832762  1
  Si  Si91  1  0.340666  0.158735  0.169376  1
  Si  Si92  1  0.334765  0.165121  0.502143  1
  Si  Si93  1  0.332869  0.166692  0.834031  1
  Si  Si94  1  0.334094  0.499581  0.165825  1
  Si  Si95  1  0.332644  0.499413  0.499756  1
  Si  Si96  1  0.333039  0.499270  0.833647  1
  Si  Si97  1  0.333496  0.833005  0.166889  1
  Si  Si98  1  0.333792  0.831824  0.500999  1
  Si  Si99  1  0.332759  0.833077  0.833539  1
  Si  Si100  1  0.667021  0.166485  0.166734  1
  Si  Si101  1  0.667199  0.166078  0.500415  1
  Si  Si102  1  0.666077  0.166235  0.833252  1
  Si  Si103  1  0.666127  0.500068  0.166389  1
  Si  Si104  1  0.666801  0.499524  0.498983  1
  Si  Si105  1  0.664649  0.500547  0.831944  1
  Si  Si106  1  0.665839  0.833933  0.167004  1
  Si  Si107  1  0.666648  0.832947  0.499957  1
  Si  Si108  1  0.666128  0.833635  0.833128  1
  Si  Si109  1  0.087968  0.235650  0.264788  1
  Si  Si110  1  0.083219  0.249362  0.583750  1
  Si  Si111  1  0.082226  0.252911  0.917260  1
  Si  Si112  1  0.083136  0.583975  0.248397  1
  Si  Si113  1  0.082968  0.583202  0.583114  1
  Si  Si114  1  0.081039  0.587358  0.912251  1
  Si  Si115  1  0.083384  0.916005  0.250416  1
  Si  Si116  1  0.082804  0.914646  0.585563  1
  Si  Si117  1  0.083004  0.917046  0.916841  1
  Si  Si118  1  0.418884  0.248318  0.251256  1
  Si  Si119  1  0.417381  0.249346  0.584659  1
  Si  Si120  1  0.416531  0.249691  0.917199  1
  Si  Si121  1  0.416647  0.583038  0.249943  1
  Si  Si122  1  0.415857  0.582821  0.583046  1
  Si  Si123  1  0.416131  0.583008  0.916735  1
  Si  Si124  1  0.418000  0.914683  0.250600  1
  Si  Si125  1  0.416661  0.916090  0.583919  1
  Si  Si126  1  0.415767  0.916655  0.916694  1
  Si  Si127  1  0.750505  0.249875  0.249780  1
  Si  Si128  1  0.750379  0.249922  0.582895  1
  Si  Si129  1  0.748938  0.249858  0.916168  1
  Si  Si130  1  0.750018  0.582748  0.249661  1
  Si  Si131  1  0.749291  0.583519  0.582251  1
  Si  Si132  1  0.746953  0.585151  0.914993  1
  Si  Si133  1  0.750175  0.916550  0.249956  1
  Si  Si134  1  0.749750  0.916565  0.583175  1
  Si  Si135  1  0.749603  0.917228  0.916174  1
  Si  Si136  1  0.166956  0.999103  0.167326  1
  Si  Si137  1  0.167589  0.995711  0.503976  1
  Si  Si138  1  0.166399  0.000877  0.834363  1
  Si  Si139  1  0.201235  0.303073  0.200533  1
  Si  Si140  1  0.166832  0.332411  0.500666  1
  Si  Si141  1  0.165764  0.333410  0.832326  1
  Si  Si142  1  0.166223  0.667854  0.166359  1
  Si  Si143  1  0.166328  0.666525  0.500074  1
  Si  Si144  1  0.166121  0.668920  0.830775  1
  Si  Si145  1  0.502509  0.997271  0.167740  1
  Si  Si146  1  0.500472  0.999161  0.500752  1
  Si  Si147  1  0.499567  0.999670  0.833725  1
  Si  Si148  1  0.500553  0.332541  0.167091  1
  Si  Si149  1  0.500889  0.332199  0.500995  1
  Si  Si150  1  0.499631  0.333103  0.833386  1
  Si  Si151  1  0.499810  0.666602  0.166660  1
  Si  Si152  1  0.499835  0.665768  0.500139  1
  Si  Si153  1  0.498814  0.666756  0.832998  1
  Si  Si154  1  0.833377  0.000096  0.166729  1
  Si  Si155  1  0.833403  0.999765  0.500118  1
  Si  Si156  1  0.833086  0.000500  0.833107  1
  Si  Si157  1  0.832792  0.333611  0.165540  1
  Si  Si158  1  0.833805  0.332988  0.499138  1
  Si  Si159  1  0.826336  0.332556  0.826911  1
  Si  Si160  1  0.828533  0.670880  0.166735  1
  Si  Si161  1  0.832985  0.666430  0.499104  1
  Si  Si162  1  0.832182  0.667447  0.832445  1
  Si  Si163  1  0.083585  0.082819  0.084475  1
  Si  Si164  1  0.082543  0.076354  0.423091  1
  Si  Si165  1  0.082985  0.083778  0.750836  1
  Si  Si166  1  0.053042  0.451194  0.049560  1
  Si  Si167  1  0.083416  0.415777  0.417682  1
  Si  Si168  1  0.082397  0.416818  0.749325  1
  Si  Si169  1  0.082587  0.750528  0.082884  1
  Si  Si170  1  0.083074  0.749628  0.416652  1
  Si  Si171  1  0.082193  0.750952  0.748971  1
  Si  Si172  1  0.420961  0.078456  0.083293  1
  Si  Si173  1  0.417446  0.082200  0.417554  1
  Si  Si174  1  0.416404  0.083017  0.750886  1
  Si  Si175  1  0.417866  0.416209  0.083665  1
  Si  Si176  1  0.418873  0.416151  0.419194  1
  Si  Si177  1  0.416481  0.416294  0.749954  1
  Si  Si178  1  0.416528  0.749803  0.083375  1
  Si  Si179  1  0.416743  0.748801  0.417026  1
  Si  Si180  1  0.415795  0.749860  0.749863  1
  Si  Si181  1  0.750184  0.083336  0.083278  1
  Si  Si182  1  0.750495  0.083098  0.416882  1
  Si  Si183  1  0.749706  0.083434  0.749876  1
  Si  Si184  1  0.749089  0.416979  0.082652  1
  Si  Si185  1  0.750860  0.416401  0.415639  1
  Si  Si186  1  0.745658  0.417529  0.745973  1
  Si  Si187  1  0.747346  0.752430  0.082284  1
  Si  Si188  1  0.749628  0.749587  0.416264  1
  Si  Si189  1  0.749125  0.750479  0.749230  1
  Si  Si190  1  0.165717  0.168788  0.002937  1
  Si  Si191  1  0.170988  0.154761  0.344365  1
  Si  Si192  1  0.166547  0.166238  0.667108  1
  Si  Si193  1  0.169328  0.506859  0.992609  1
  Si  Si194  1  0.164763  0.499739  0.333761  1
  Si  Si195  1  0.166172  0.499853  0.666422  1
  Si  Si196  1  0.166309  0.833542  0.999871  1
  Si  Si197  1  0.166696  0.832828  0.333752  1
  Si  Si198  1  0.166769  0.832926  0.667573  1
  Si  Si199  1  0.500220  0.166075  0.000327  1
  Si  Si200  1  0.501550  0.165405  0.334669  1
  Si  Si201  1  0.500099  0.165955  0.667602  1
  Si  Si202  1  0.499929  0.500125  0.999822  1
  Si  Si203  1  0.499818  0.499350  0.333275  1
  Si  Si204  1  0.499211  0.499670  0.665989  1
  Si  Si205  1  0.499166  0.833685  0.999997  1
  Si  Si206  1  0.500673  0.831825  0.334042  1
  Si  Si207  1  0.499816  0.832931  0.666945  1
  Si  Si208  1  0.833093  0.166973  0.999714  1
  Si  Si209  1  0.833585  0.166533  0.333288  1
  Si  Si210  1  0.833150  0.166474  0.666561  1
  Si  Si211  1  0.829147  0.502237  0.998131  1
  Si  Si212  1  0.834927  0.498981  0.331708  1
  Si  Si213  1  0.832116  0.500211  0.665276  1
  Si  Si214  1  0.832623  0.834424  0.999655  1
  Si  Si215  1  0.832991  0.833098  0.333384  1
  Si  Si216  1  0.833029  0.833485  0.666240  1
  Br  Br217  1  0.087967  0.337536  0.124606  1