# 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  0.249978  0.250008  0.417689  1
  Si  Si2  1  0.250007  0.250033  0.748991  1
  Si  Si3  1  0.250027  0.584317  0.083385  1
  Si  Si4  1  0.250158  0.584183  0.417472  1
  Si  Si5  1  0.249827  0.584121  0.749198  1
  Si  Si6  1  0.250038  0.915659  0.083378  1
  Si  Si7  1  0.249846  0.915871  0.417502  1
  Si  Si8  1  0.250199  0.915819  0.749219  1
  Si  Si9  1  0.584345  0.250030  0.083374  1
  Si  Si10  1  0.584208  0.250218  0.417443  1
  Si  Si11  1  0.584156  0.249778  0.749132  1
  Si  Si12  1  0.584197  0.584123  0.083550  1
  Si  Si13  1  0.583473  0.583559  0.416810  1
  Si  Si14  1  0.583227  0.583333  0.749882  1
  Si  Si15  1  0.584202  0.915882  0.083079  1
  Si  Si16  1  0.583426  0.916737  0.416662  1
  Si  Si17  1  0.583477  0.916673  0.749976  1
  Si  Si18  1  0.915751  0.249982  0.083276  1
  Si  Si19  1  0.915866  0.249763  0.417458  1
  Si  Si20  1  0.915869  0.250224  0.749257  1
  Si  Si21  1  0.915829  0.584165  0.083111  1
  Si  Si22  1  0.916654  0.583412  0.416626  1
  Si  Si23  1  0.916446  0.583451  0.749826  1
  Si  Si24  1  0.915928  0.915812  0.083503  1
  Si  Si25  1  0.916493  0.916621  0.416839  1
  Si  Si26  1  0.916774  0.916528  0.749951  1
  Si  Si27  1  0.998852  0.998726  0.999307  1
  Si  Si28  1  0.999935  0.999905  0.333457  1
  Si  Si29  1  0.999892  0.999797  0.666488  1
  Si  Si30  1  0.998667  0.333376  0.999965  1
  Si  Si31  1  0.998785  0.333960  0.334525  1
  Si  Si32  1  0.999731  0.333419  0.666443  1
  Si  Si33  1  0.999740  0.666916  0.999922  1
  Si  Si34  1  0.999882  0.666887  0.333520  1
  Si  Si35  1  0.999797  0.666700  0.666576  1
  Si  Si36  1  0.333351  0.998665  0.000055  1
  Si  Si37  1  0.334098  0.998756  0.334569  1
  Si  Si38  1  0.333412  0.999732  0.666447  1
  Si  Si39  1  0.346623  0.346622  0.986729  1
  Si  Si40  1  0.333319  0.333366  0.334747  1
  Si  Si41  1  0.333491  0.333504  0.666167  1
  Si  Si42  1  0.333571  0.667057  0.999892  1
  Si  Si43  1  0.333435  0.666933  0.333596  1
  Si  Si44  1  0.333596  0.667034  0.666419  1
  Si  Si45  1  0.666972  0.999764  0.999867  1
  Si  Si46  1  0.666928  0.999842  0.333449  1
  Si  Si47  1  0.666742  0.999974  0.666708  1
  Si  Si48  1  0.667125  0.333518  0.999865  1
  Si  Si49  1  0.666997  0.333384  0.333521  1
  Si  Si50  1  0.667000  0.333504  0.666269  1
  Si  Si51  1  0.667018  0.666997  0.999792  1
  Si  Si52  1  0.666811  0.666786  0.333518  1
  Si  Si53  1  0.666594  0.666688  0.666607  1
  Si  Si54  1  0.248263  0.080990  0.252404  1
  Si  Si55  1  0.249995  0.083061  0.583381  1
  Si  Si56  1  0.251811  0.080991  0.914306  1
  Si  Si57  1  0.251767  0.419016  0.252378  1
  Si  Si58  1  0.249939  0.416955  0.583337  1
  Si  Si59  1  0.248239  0.419055  0.914312  1
  Si  Si60  1  0.250037  0.750008  0.250284  1
  Si  Si61  1  0.250014  0.749897  0.583380  1
  Si  Si62  1  0.250022  0.749914  0.916509  1
  Si  Si63  1  0.583840  0.083281  0.250016  1
  Si  Si64  1  0.583555  0.083191  0.583321  1
  Si  Si65  1  0.583841  0.083020  0.916337  1
  Si  Si66  1  0.583858  0.417062  0.250415  1
  Si  Si67  1  0.583538  0.416786  0.583220  1
  Si  Si68  1  0.583789  0.416667  0.916615  1
  Si  Si69  1  0.583618  0.749999  0.250139  1
  Si  Si70  1  0.583337  0.750118  0.583421  1
  Si  Si71  1  0.583544  0.749988  0.916502  1
  Si  Si72  1  0.916227  0.082911  0.250335  1
  Si  Si73  1  0.916487  0.083156  0.583399  1
  Si  Si74  1  0.916277  0.083261  0.916650  1
  Si  Si75  1  0.916252  0.416685  0.249995  1
  Si  Si76  1  0.916415  0.416761  0.583323  1
  Si  Si77  1  0.916149  0.417066  0.916291  1
  Si  Si78  1  0.916487  0.750003  0.250211  1
  Si  Si79  1  0.916448  0.750007  0.583341  1
  Si  Si80  1  0.916468  0.749925  0.916416  1
  Si  Si81  1  0.998679  0.166598  0.166608  1
  Si  Si82  1  0.999734  0.166564  0.500286  1
  Si  Si83  1  0.998796  0.165995  0.832130  1
  Si  Si84  1  0.998778  0.501259  0.167325  1
  Si  Si85  1  0.999750  0.500097  0.500133  1
  Si  Si86  1  0.999846  0.500129  0.833242  1
  Si  Si87  1  0.999759  0.833081  0.166796  1
  Si  Si88  1  0.999801  0.833315  0.500085  1
  Si  Si89  1  0.999921  0.833034  0.833142  1
  Si  Si90  1  0.346597  0.153472  0.179962  1
  Si  Si91  1  0.333495  0.166464  0.500438  1
  Si  Si92  1  0.333343  0.166692  0.831941  1
  Si  Si93  1  0.333357  0.501347  0.166716  1
  Si  Si94  1  0.333345  0.500285  0.500251  1
  Si  Si95  1  0.334083  0.501208  0.832070  1
  Si  Si96  1  0.333568  0.832885  0.166857  1
  Si  Si97  1  0.333522  0.832962  0.500375  1
  Si  Si98  1  0.333350  0.833121  0.833225  1
  Si  Si99  1  0.667157  0.166456  0.166799  1
  Si  Si100  1  0.667038  0.166508  0.500358  1
  Si  Si101  1  0.666937  0.166617  0.833090  1
  Si  Si102  1  0.666966  0.500261  0.166778  1
  Si  Si103  1  0.666723  0.500097  0.499945  1
  Si  Si104  1  0.666751  0.500146  0.833119  1
  Si  Si105  1  0.667051  0.832990  0.166785  1
  Si  Si106  1  0.666648  0.833411  0.500128  1
  Si  Si107  1  0.666699  0.833333  0.833229  1
  Si  Si108  1  0.080994  0.248183  0.252316  1
  Si  Si109  1  0.083034  0.249978  0.583376  1
  Si  Si110  1  0.081035  0.251820  0.914313  1
  Si  Si111  1  0.083288  0.583802  0.250061  1
  Si  Si112  1  0.083076  0.583454  0.583286  1
  Si  Si113  1  0.082950  0.583829  0.916301  1
  Si  Si114  1  0.082995  0.916167  0.250404  1
  Si  Si115  1  0.083227  0.916435  0.583336  1
  Si  Si116  1  0.083343  0.916133  0.916609  1
  Si  Si117  1  0.419027  0.251818  0.252418  1
  Si  Si118  1  0.416928  0.250003  0.583277  1
  Si  Si119  1  0.419026  0.248255  0.914283  1
  Si  Si120  1  0.417074  0.583836  0.250391  1
  Si  Si121  1  0.416777  0.583593  0.583312  1
  Si  Si122  1  0.416756  0.583764  0.916637  1
  Si  Si123  1  0.416790  0.916229  0.250008  1
  Si  Si124  1  0.416823  0.916446  0.583371  1
  Si  Si125  1  0.417037  0.916192  0.916366  1
  Si  Si126  1  0.750077  0.249933  0.250215  1
  Si  Si127  1  0.750090  0.249960  0.583382  1
  Si  Si128  1  0.750000  0.250036  0.916419  1
  Si  Si129  1  0.750054  0.583578  0.250151  1
  Si  Si130  1  0.749887  0.583423  0.583292  1
  Si  Si131  1  0.749906  0.583478  0.916457  1
  Si  Si132  1  0.750058  0.916445  0.250091  1
  Si  Si133  1  0.749954  0.916658  0.583453  1
  Si  Si134  1  0.750092  0.916506  0.916439  1
  Si  Si135  1  0.166722  0.998626  0.166717  1
  Si  Si136  1  0.166622  0.999749  0.500266  1
  Si  Si137  1  0.165998  0.998759  0.832117  1
  Si  Si138  1  0.153401  0.346580  0.179916  1
  Si  Si139  1  0.166446  0.333487  0.500468  1
  Si  Si140  1  0.166677  0.333388  0.831959  1
  Si  Si141  1  0.166511  0.667112  0.166867  1
  Si  Si142  1  0.166419  0.666980  0.500370  1
  Si  Si143  1  0.166642  0.666859  0.833122  1
  Si  Si144  1  0.501274  0.998793  0.167293  1
  Si  Si145  1  0.500189  0.999827  0.500207  1
  Si  Si146  1  0.500049  0.999991  0.833312  1
  Si  Si147  1  0.501388  0.333364  0.166729  1
  Si  Si148  1  0.500238  0.333389  0.500164  1
  Si  Si149  1  0.501249  0.333997  0.832049  1
  Si  Si150  1  0.500313  0.666897  0.166765  1
  Si  Si151  1  0.500115  0.666819  0.500060  1
  Si  Si152  1  0.500164  0.666843  0.833181  1
  Si  Si153  1  0.833145  0.999731  0.166689  1
  Si  Si154  1  0.833235  0.999918  0.500111  1
  Si  Si155  1  0.833307  0.999796  0.833136  1
  Si  Si156  1  0.832964  0.333446  0.166802  1
  Si  Si157  1  0.832993  0.333481  0.500297  1
  Si  Si158  1  0.833045  0.333444  0.833085  1
  Si  Si159  1  0.833012  0.667066  0.166817  1
  Si  Si160  1  0.833269  0.666670  0.500028  1
  Si  Si161  1  0.833159  0.666708  0.833143  1
  Si  Si162  1  0.081071  0.080945  0.085102  1
  Si  Si163  1  0.082968  0.082966  0.417189  1
  Si  Si164  1  0.083296  0.083280  0.749565  1
  Si  Si165  1  0.081015  0.419045  0.081547  1
  Si  Si166  1  0.083263  0.416664  0.417110  1
  Si  Si167  1  0.082930  0.417071  0.749526  1
  Si  Si168  1  0.083058  0.749979  0.083375  1
  Si  Si169  1  0.083182  0.750066  0.416913  1
  Si  Si170  1  0.083242  0.749865  0.749773  1
  Si  Si171  1  0.419027  0.081049  0.081573  1
  Si  Si172  1  0.416756  0.083294  0.417144  1
  Si  Si173  1  0.417037  0.082988  0.749485  1
  Si  Si174  1  0.419033  0.419016  0.085141  1
  Si  Si175  1  0.417021  0.417094  0.417179  1
  Si  Si176  1  0.416739  0.416692  0.749470  1
  Si  Si177  1  0.416999  0.749981  0.083368  1
  Si  Si178  1  0.416860  0.750087  0.416799  1
  Si  Si179  1  0.416807  0.750092  0.749964  1
  Si  Si180  1  0.750072  0.083051  0.083288  1
  Si  Si181  1  0.750006  0.083204  0.416857  1
  Si  Si182  1  0.750105  0.083193  0.749892  1
  Si  Si183  1  0.750039  0.416928  0.083369  1
  Si  Si184  1  0.750087  0.416833  0.416780  1
  Si  Si185  1  0.749941  0.416815  0.749778  1
  Si  Si186  1  0.750064  0.750053  0.083211  1
  Si  Si187  1  0.749994  0.750117  0.416889  1
  Si  Si188  1  0.749852  0.750021  0.749858  1
  Si  Si189  1  0.153472  0.153432  0.986739  1
  Si  Si190  1  0.166663  0.166663  0.334722  1
  Si  Si191  1  0.166484  0.166497  0.666253  1
  Si  Si192  1  0.166693  0.501395  0.999995  1
  Si  Si193  1  0.165949  0.501218  0.334583  1
  Si  Si194  1  0.166543  0.500279  0.666428  1
  Si  Si195  1  0.166512  0.832855  0.999888  1
  Si  Si196  1  0.166639  0.833103  0.333616  1
  Si  Si197  1  0.166510  0.832940  0.666338  1
  Si  Si198  1  0.501377  0.166730  0.000018  1
  Si  Si199  1  0.501282  0.165971  0.334562  1
  Si  Si200  1  0.500248  0.166602  0.666372  1
  Si  Si201  1  0.501270  0.501204  0.999333  1
  Si  Si202  1  0.500127  0.500136  0.333458  1
  Si  Si203  1  0.500141  0.500127  0.666350  1
  Si  Si204  1  0.500283  0.833075  0.999928  1
  Si  Si205  1  0.500270  0.833196  0.333462  1
  Si  Si206  1  0.500117  0.833377  0.666772  1
  Si  Si207  1  0.832927  0.166490  0.999783  1
  Si  Si208  1  0.833144  0.166535  0.333565  1
  Si  Si209  1  0.833063  0.166471  0.666392  1
  Si  Si210  1  0.833046  0.500263  0.999918  1
  Si  Si211  1  0.833228  0.500187  0.333425  1
  Si  Si212  1  0.833199  0.500107  0.666567  1
  Si  Si213  1  0.833074  0.833020  0.999713  1
  Si  Si214  1  0.833290  0.833323  0.333506  1
  Si  Si215  1  0.833249  0.833327  0.666687  1
  Br  Br216  1  0.250004  0.249987  0.083341  1