# 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  0.249867  0.250134  0.417091  1
  Si  Si2  1  0.249940  0.250021  0.749270  1
  Si  Si3  1  0.249984  0.583979  0.083273  1
  Si  Si4  1  0.250097  0.584041  0.417356  1
  Si  Si5  1  0.250001  0.584135  0.749157  1
  Si  Si6  1  0.249864  0.916215  0.083172  1
  Si  Si7  1  0.250115  0.915344  0.417903  1
  Si  Si8  1  0.250064  0.915907  0.749244  1
  Si  Si9  1  0.583767  0.250134  0.083167  1
  Si  Si10  1  0.584643  0.249873  0.417906  1
  Si  Si11  1  0.584091  0.249917  0.749217  1
  Si  Si12  1  0.584109  0.584072  0.083401  1
  Si  Si13  1  0.583402  0.583015  0.416726  1
  Si  Si14  1  0.583203  0.583186  0.750177  1
  Si  Si15  1  0.584633  0.915364  0.083485  1
  Si  Si16  1  0.583055  0.916952  0.416328  1
  Si  Si17  1  0.583341  0.916645  0.750331  1
  Si  Si18  1  0.915992  0.250019  0.083242  1
  Si  Si19  1  0.915951  0.249889  0.417340  1
  Si  Si20  1  0.915852  0.249995  0.749180  1
  Si  Si21  1  0.915837  0.584125  0.083381  1
  Si  Si22  1  0.916781  0.583204  0.416486  1
  Si  Si23  1  0.916831  0.583147  0.750225  1
  Si  Si24  1  0.915903  0.915904  0.083399  1
  Si  Si25  1  0.916991  0.916627  0.416721  1
  Si  Si26  1  0.916804  0.916763  0.750202  1
  Si  Si27  1  0.998799  0.999290  0.999757  1
  Si  Si28  1  0.000453  0.000037  0.333310  1
  Si  Si29  1  0.999978  0.999985  0.666652  1
  Si  Si30  1  0.999710  0.333203  0.000107  1
  Si  Si31  1  0.998872  0.333514  0.333935  1
  Si  Si32  1  0.999956  0.333295  0.666490  1
  Si  Si33  1  0.000014  0.666746  0.000116  1
  Si  Si34  1  0.999995  0.666722  0.333297  1
  Si  Si35  1  0.000191  0.666551  0.666808  1
  Si  Si36  1  0.333398  0.999156  0.000312  1
  Si  Si37  1  0.332591  0.999163  0.334106  1
  Si  Si38  1  0.333392  0.999789  0.666530  1
  Si  Si39  1  0.346959  0.346321  0.987102  1
  Si  Si40  1  0.333432  0.333006  0.334183  1
  Si  Si41  1  0.333373  0.333279  0.666342  1
  Si  Si42  1  0.333406  0.666910  0.000057  1
  Si  Si43  1  0.333395  0.666773  0.333490  1
  Si  Si44  1  0.333724  0.666746  0.666626  1
  Si  Si45  1  0.666980  0.999550  0.000240  1
  Si  Si46  1  0.666169  0.000436  0.332829  1
  Si  Si47  1  0.666493  0.999902  0.666686  1
  Si  Si48  1  0.666895  0.333510  0.999861  1
  Si  Si49  1  0.667004  0.333106  0.333708  1
  Si  Si50  1  0.667287  0.333176  0.666435  1
  Si  Si51  1  0.667295  0.666891  0.000174  1
  Si  Si52  1  0.666566  0.666707  0.333504  1
  Si  Si53  1  0.666811  0.666518  0.666885  1
  Si  Si54  1  0.249196  0.081463  0.251833  1
  Si  Si55  1  0.250197  0.083203  0.583452  1
  Si  Si56  1  0.251537  0.080741  0.914755  1
  Si  Si57  1  0.251606  0.418560  0.252546  1
  Si  Si58  1  0.249922  0.416792  0.583436  1
  Si  Si59  1  0.248972  0.419034  0.914266  1
  Si  Si60  1  0.250247  0.749824  0.250043  1
  Si  Si61  1  0.250239  0.749569  0.583684  1
  Si  Si62  1  0.249959  0.749823  0.916601  1
  Si  Si63  1  0.582449  0.083757  0.249531  1
  Si  Si64  1  0.583356  0.083215  0.583107  1
  Si  Si65  1  0.583658  0.083046  0.916864  1
  Si  Si66  1  0.583696  0.416520  0.250277  1
  Si  Si67  1  0.583550  0.416472  0.583544  1
  Si  Si68  1  0.582963  0.416500  0.916783  1
  Si  Si69  1  0.583369  0.750169  0.250135  1
  Si  Si70  1  0.583501  0.750007  0.583422  1
  Si  Si71  1  0.583546  0.749798  0.916894  1
  Si  Si72  1  0.916318  0.083033  0.250245  1
  Si  Si73  1  0.916603  0.083221  0.583232  1
  Si  Si74  1  0.916308  0.083503  0.916496  1
  Si  Si75  1  0.916295  0.416777  0.249794  1
  Si  Si76  1  0.916822  0.416724  0.583253  1
  Si  Si77  1  0.916405  0.416611  0.916702  1
  Si  Si78  1  0.916672  0.750146  0.250087  1
  Si  Si79  1  0.916913  0.749900  0.583453  1
  Si  Si80  1  0.916887  0.749950  0.916722  1
  Si  Si81  1  0.999147  0.166620  0.166663  1
  Si  Si82  1  0.999977  0.166626  0.500055  1
  Si  Si83  1  0.998688  0.166485  0.831981  1
  Si  Si84  1  0.998642  0.501350  0.166866  1
  Si  Si85  1  0.000133  0.499867  0.499849  1
  Si  Si86  1  0.000290  0.499680  0.833669  1
  Si  Si87  1  0.000005  0.833276  0.166647  1
  Si  Si88  1  0.000335  0.833219  0.500082  1
  Si  Si89  1  0.000168  0.833338  0.833511  1
  Si  Si90  1  0.345852  0.154152  0.179097  1
  Si  Si91  1  0.333416  0.166575  0.500136  1
  Si  Si92  1  0.333320  0.166672  0.832502  1
  Si  Si93  1  0.333385  0.500864  0.166695  1
  Si  Si94  1  0.333360  0.500000  0.500059  1
  Si  Si95  1  0.333522  0.501342  0.831970  1
  Si  Si96  1  0.333422  0.833143  0.166674  1
  Si  Si97  1  0.333411  0.832455  0.500758  1
  Si  Si98  1  0.333309  0.833271  0.833377  1
  Si  Si99  1  0.666835  0.166572  0.166679  1
  Si  Si100  1  0.667542  0.166607  0.500779  1
  Si  Si101  1  0.666697  0.166679  0.833392  1
  Si  Si102  1  0.666741  0.499988  0.166664  1
  Si  Si103  1  0.666785  0.499641  0.500077  1
  Si  Si104  1  0.666627  0.499846  0.833493  1
  Si  Si105  1  0.667529  0.832501  0.166740  1
  Si  Si106  1  0.666531  0.833491  0.499879  1
  Si  Si107  1  0.666720  0.833281  0.833684  1
  Si  Si108  1  0.081459  0.248392  0.252536  1
  Si  Si109  1  0.083168  0.250031  0.583429  1
  Si  Si110  1  0.080977  0.251021  0.914295  1
  Si  Si111  1  0.083204  0.583697  0.249812  1
  Si  Si112  1  0.083264  0.583149  0.583271  1
  Si  Si113  1  0.083362  0.583576  0.916703  1
  Si  Si114  1  0.083489  0.916309  0.250273  1
  Si  Si115  1  0.083509  0.916446  0.583547  1
  Si  Si116  1  0.083488  0.917034  0.916781  1
  Si  Si117  1  0.418528  0.250819  0.251831  1
  Si  Si118  1  0.416794  0.249784  0.583431  1
  Si  Si119  1  0.419258  0.248456  0.914745  1
  Si  Si120  1  0.416963  0.583671  0.250259  1
  Si  Si121  1  0.416784  0.583376  0.583235  1
  Si  Si122  1  0.416512  0.583697  0.916489  1
  Si  Si123  1  0.416236  0.917522  0.249532  1
  Si  Si124  1  0.416789  0.916665  0.583098  1
  Si  Si125  1  0.416933  0.916333  0.916847  1
  Si  Si126  1  0.750152  0.249762  0.250035  1
  Si  Si127  1  0.750433  0.249776  0.583705  1
  Si  Si128  1  0.750120  0.250064  0.916571  1
  Si  Si129  1  0.749884  0.583304  0.250097  1
  Si  Si130  1  0.750076  0.583080  0.583464  1
  Si  Si131  1  0.750018  0.583101  0.916706  1
  Si  Si132  1  0.749823  0.916651  0.250158  1
  Si  Si133  1  0.750005  0.916507  0.583443  1
  Si  Si134  1  0.750183  0.916452  0.916917  1
  Si  Si135  1  0.166991  0.999121  0.166738  1
  Si  Si136  1  0.166873  0.999523  0.500308  1
  Si  Si137  1  0.166455  0.999344  0.832142  1
  Si  Si138  1  0.153845  0.346190  0.180100  1
  Si  Si139  1  0.166499  0.333464  0.500202  1
  Si  Si140  1  0.166792  0.333195  0.833004  1
  Si  Si141  1  0.166747  0.666917  0.166690  1
  Si  Si142  1  0.166809  0.666846  0.500519  1
  Si  Si143  1  0.166738  0.666758  0.833348  1
  Si  Si144  1  0.500820  0.999166  0.165894  1
  Si  Si145  1  0.499579  0.000432  0.499489  1
  Si  Si146  1  0.499948  0.000050  0.833808  1
  Si  Si147  1  0.500873  0.333025  0.166737  1
  Si  Si148  1  0.500479  0.333135  0.500300  1
  Si  Si149  1  0.500673  0.333545  0.832131  1
  Si  Si150  1  0.500238  0.666794  0.166715  1
  Si  Si151  1  0.500177  0.666741  0.499862  1
  Si  Si152  1  0.500008  0.666719  0.833352  1
  Si  Si153  1  0.833195  0.999753  0.166721  1
  Si  Si154  1  0.833253  0.999822  0.499861  1
  Si  Si155  1  0.833289  0.999976  0.833379  1
  Si  Si156  1  0.833081  0.333244  0.166669  1
  Si  Si157  1  0.833152  0.333175  0.500508  1
  Si  Si158  1  0.833213  0.333266  0.833349  1
  Si  Si159  1  0.833301  0.666702  0.167122  1
  Si  Si160  1  0.833510  0.666475  0.500186  1
  Si  Si161  1  0.833465  0.666519  0.833620  1
  Si  Si162  1  0.081354  0.080655  0.084917  1
  Si  Si163  1  0.083512  0.083053  0.417012  1
  Si  Si164  1  0.083200  0.083506  0.749591  1
  Si  Si165  1  0.080931  0.419065  0.082269  1
  Si  Si166  1  0.083484  0.416512  0.416246  1
  Si  Si167  1  0.083318  0.416632  0.749741  1
  Si  Si168  1  0.083241  0.749851  0.083311  1
  Si  Si169  1  0.083541  0.749790  0.416832  1
  Si  Si170  1  0.083361  0.749972  0.750193  1
  Si  Si171  1  0.418543  0.081442  0.082488  1
  Si  Si172  1  0.416265  0.083748  0.415759  1
  Si  Si173  1  0.416913  0.083086  0.749683  1
  Si  Si174  1  0.419337  0.418659  0.084918  1
  Si  Si175  1  0.416965  0.416506  0.417011  1
  Si  Si176  1  0.416497  0.416805  0.749590  1
  Si  Si177  1  0.416804  0.749820  0.083523  1
  Si  Si178  1  0.416841  0.750138  0.416574  1
  Si  Si179  1  0.416740  0.750122  0.750058  1
  Si  Si180  1  0.750174  0.083183  0.083528  1
  Si  Si181  1  0.749817  0.083166  0.416591  1
  Si  Si182  1  0.749866  0.083252  0.750092  1
  Si  Si183  1  0.750144  0.416754  0.083335  1
  Si  Si184  1  0.750205  0.416427  0.416824  1
  Si  Si185  1  0.750020  0.416655  0.750203  1
  Si  Si186  1  0.750431  0.749570  0.083615  1
  Si  Si187  1  0.750083  0.749970  0.416879  1
  Si  Si188  1  0.750098  0.749888  0.750334  1
  Si  Si189  1  0.153706  0.153051  0.987134  1
  Si  Si190  1  0.167009  0.166569  0.334164  1
  Si  Si191  1  0.166698  0.166611  0.666331  1
  Si  Si192  1  0.166795  0.500301  0.000115  1
  Si  Si193  1  0.166479  0.501135  0.333945  1
  Si  Si194  1  0.166670  0.500013  0.666514  1
  Si  Si195  1  0.166503  0.833090  0.999840  1
  Si  Si196  1  0.166887  0.832970  0.333694  1
  Si  Si197  1  0.166831  0.832719  0.666431  1
  Si  Si198  1  0.500831  0.166588  0.000317  1
  Si  Si199  1  0.500821  0.167421  0.334099  1
  Si  Si200  1  0.500207  0.166600  0.666506  1
  Si  Si201  1  0.500713  0.501202  0.999748  1
  Si  Si202  1  0.499986  0.499562  0.333301  1
  Si  Si203  1  0.499997  0.500025  0.666635  1
  Si  Si204  1  0.500448  0.833012  0.000218  1
  Si  Si205  1  0.499568  0.833814  0.332832  1
  Si  Si206  1  0.500099  0.833507  0.666663  1
  Si  Si207  1  0.833052  0.166599  0.000035  1
  Si  Si208  1  0.833190  0.166589  0.333484  1
  Si  Si209  1  0.833249  0.166269  0.666653  1
  Si  Si210  1  0.833221  0.499954  0.000102  1
  Si  Si211  1  0.833311  0.499973  0.333298  1
  Si  Si212  1  0.833444  0.499805  0.666794  1
  Si  Si213  1  0.833115  0.832704  0.000179  1
  Si  Si214  1  0.833307  0.833488  0.333510  1
  Si  Si215  1  0.833483  0.833159  0.666885  1
  Br  Br216  1  0.236688  0.263294  0.070307  1
