# generated using pymatgen
data_Si216B
_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   Si216B
_chemical_formula_sum   'Si216 B1'
_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  0.250458  0.246535  0.086889  1
  Si  Si2  1  0.250783  0.249780  0.417626  1
  Si  Si3  1  0.249669  0.250145  0.749972  1
  Si  Si4  1  0.249695  0.583360  0.083164  1
  Si  Si5  1  0.249694  0.582750  0.416151  1
  Si  Si6  1  0.249510  0.583557  0.749694  1
  Si  Si7  1  0.250652  0.915804  0.083452  1
  Si  Si8  1  0.250213  0.916373  0.416922  1
  Si  Si9  1  0.249708  0.917144  0.750575  1
  Si  Si10  1  0.583128  0.249918  0.083229  1
  Si  Si11  1  0.583671  0.249930  0.416838  1
  Si  Si12  1  0.582777  0.250271  0.750024  1
  Si  Si13  1  0.582719  0.583244  0.083048  1
  Si  Si14  1  0.583006  0.583263  0.416320  1
  Si  Si15  1  0.582871  0.583462  0.749859  1
  Si  Si16  1  0.583636  0.916511  0.083385  1
  Si  Si17  1  0.583603  0.916694  0.416540  1
  Si  Si18  1  0.582992  0.916939  0.749986  1
  Si  Si19  1  0.914143  0.252193  0.081110  1
  Si  Si20  1  0.917036  0.250042  0.415796  1
  Si  Si21  1  0.915855  0.250609  0.749239  1
  Si  Si22  1  0.915728  0.584151  0.082618  1
  Si  Si23  1  0.916428  0.583410  0.416148  1
  Si  Si24  1  0.916248  0.583779  0.749477  1
  Si  Si25  1  0.916912  0.917329  0.083198  1
  Si  Si26  1  0.917000  0.916840  0.416452  1
  Si  Si27  1  0.916393  0.917136  0.749800  1
  Si  Si28  1  0.999738  0.001270  0.999742  1
  Si  Si29  1  0.000634  0.999884  0.333391  1
  Si  Si30  1  0.999957  0.000271  0.666556  1
  Si  Si31  1  0.999426  0.334048  0.999323  1
  Si  Si32  1  0.999915  0.333346  0.331668  1
  Si  Si33  1  0.999703  0.333642  0.666159  1
  Si  Si34  1  0.999624  0.667166  0.999580  1
  Si  Si35  1  0.999918  0.666764  0.333054  1
  Si  Si36  1  0.999822  0.666876  0.666261  1
  Si  Si37  1  0.333495  0.999795  0.000579  1
  Si  Si38  1  0.333772  0.999428  0.333803  1
  Si  Si39  1  0.333130  0.000167  0.667047  1
  Si  Si40  1  0.331499  0.333342  0.999973  1
  Si  Si41  1  0.333568  0.332614  0.333529  1
  Si  Si42  1  0.333088  0.333277  0.666529  1
  Si  Si43  1  0.333081  0.666766  0.999954  1
  Si  Si44  1  0.333105  0.666263  0.333087  1
  Si  Si45  1  0.332977  0.666763  0.666507  1
  Si  Si46  1  0.666595  0.000181  0.000047  1
  Si  Si47  1  0.667114  0.000081  0.333210  1
  Si  Si48  1  0.666469  0.000126  0.666518  1
  Si  Si49  1  0.666192  0.333488  0.999759  1
  Si  Si50  1  0.666626  0.333179  0.333064  1
  Si  Si51  1  0.666340  0.333344  0.666453  1
  Si  Si52  1  0.666266  0.666763  0.999933  1
  Si  Si53  1  0.666463  0.666734  0.333119  1
  Si  Si54  1  0.666343  0.666752  0.666500  1
  Si  Si55  1  0.250509  0.082740  0.250549  1
  Si  Si56  1  0.249928  0.083440  0.583532  1
  Si  Si57  1  0.249521  0.083808  0.918400  1
  Si  Si58  1  0.249599  0.414976  0.249616  1
  Si  Si59  1  0.249621  0.416711  0.583020  1
  Si  Si60  1  0.249001  0.417251  0.916114  1
  Si  Si61  1  0.249940  0.749852  0.249822  1
  Si  Si62  1  0.249544  0.750025  0.583271  1
  Si  Si63  1  0.249584  0.750279  0.916555  1
  Si  Si64  1  0.583591  0.083291  0.249995  1
  Si  Si65  1  0.583280  0.083615  0.583282  1
  Si  Si66  1  0.583098  0.083685  0.916656  1
  Si  Si67  1  0.583116  0.416611  0.249598  1
  Si  Si68  1  0.583071  0.416732  0.583129  1
  Si  Si69  1  0.582594  0.416735  0.916563  1
  Si  Si70  1  0.583286  0.750007  0.249660  1
  Si  Si71  1  0.582965  0.750094  0.583156  1
  Si  Si72  1  0.583068  0.750186  0.916571  1
  Si  Si73  1  0.918520  0.083940  0.249410  1
  Si  Si74  1  0.916582  0.083748  0.583038  1
  Si  Si75  1  0.916135  0.084251  0.916065  1
  Si  Si76  1  0.916176  0.417193  0.248980  1
  Si  Si77  1  0.916424  0.416867  0.582644  1
  Si  Si78  1  0.916024  0.417387  0.915894  1
  Si  Si79  1  0.916568  0.750280  0.249544  1
  Si  Si80  1  0.916437  0.750232  0.583018  1
  Si  Si81  1  0.916364  0.750645  0.916342  1
  Si  Si82  1  0.000484  0.170962  0.162093  1
  Si  Si83  1  0.000077  0.166867  0.499639  1
  Si  Si84  1  0.999130  0.167093  0.832038  1
  Si  Si85  1  0.998990  0.501480  0.166208  1
  Si  Si86  1  0.999907  0.499758  0.499057  1
  Si  Si87  1  0.999384  0.500537  0.832731  1
  Si  Si88  1  0.000088  0.833617  0.166389  1
  Si  Si89  1  0.000149  0.833342  0.499961  1
  Si  Si90  1  0.999862  0.834094  0.833327  1
  Si  Si91  1  0.335660  0.164897  0.168433  1
  Si  Si92  1  0.333962  0.166357  0.500501  1
  Si  Si93  1  0.332463  0.166773  0.833940  1
  Si  Si94  1  0.332512  0.499357  0.166508  1
  Si  Si95  1  0.333186  0.499735  0.499685  1
  Si  Si96  1  0.332887  0.500201  0.833086  1
  Si  Si97  1  0.333884  0.832891  0.166827  1
  Si  Si98  1  0.333298  0.833097  0.500182  1
  Si  Si99  1  0.333183  0.833593  0.833564  1
  Si  Si100  1  0.666732  0.166695  0.166507  1
  Si  Si101  1  0.667012  0.166599  0.499826  1
  Si  Si102  1  0.666233  0.166922  0.832989  1
  Si  Si103  1  0.666226  0.500309  0.166354  1
  Si  Si104  1  0.666451  0.499953  0.499660  1
  Si  Si105  1  0.666155  0.500082  0.833185  1
  Si  Si106  1  0.666973  0.833517  0.166681  1
  Si  Si107  1  0.666695  0.833310  0.499920  1
  Si  Si108  1  0.666451  0.833584  0.833260  1
  Si  Si109  1  0.086777  0.246634  0.250573  1
  Si  Si110  1  0.083159  0.250176  0.583061  1
  Si  Si111  1  0.081169  0.252145  0.914053  1
  Si  Si112  1  0.083204  0.583412  0.249660  1
  Si  Si113  1  0.082936  0.583324  0.582758  1
  Si  Si114  1  0.082671  0.584104  0.915771  1
  Si  Si115  1  0.083492  0.915778  0.250629  1
  Si  Si116  1  0.083233  0.916520  0.583645  1
  Si  Si117  1  0.083228  0.917388  0.916888  1
  Si  Si118  1  0.417650  0.249709  0.250775  1
  Si  Si119  1  0.416879  0.249970  0.583647  1
  Si  Si120  1  0.415656  0.249934  0.917196  1
  Si  Si121  1  0.416175  0.582725  0.249730  1
  Si  Si122  1  0.416227  0.583244  0.583191  1
  Si  Si123  1  0.416160  0.583338  0.916559  1
  Si  Si124  1  0.416925  0.916339  0.250289  1
  Si  Si125  1  0.416431  0.916745  0.583540  1
  Si  Si126  1  0.416585  0.916748  0.917002  1
  Si  Si127  1  0.750079  0.250036  0.249633  1
  Si  Si128  1  0.749854  0.250288  0.582830  1
  Si  Si129  1  0.749324  0.250597  0.915845  1
  Si  Si130  1  0.749712  0.583596  0.249572  1
  Si  Si131  1  0.749658  0.583519  0.582921  1
  Si  Si132  1  0.749475  0.583722  0.916317  1
  Si  Si133  1  0.750655  0.917180  0.249730  1
  Si  Si134  1  0.749923  0.916933  0.583058  1
  Si  Si135  1  0.749834  0.917109  0.916442  1
  Si  Si136  1  0.168222  0.997848  0.168196  1
  Si  Si137  1  0.166876  0.999455  0.500538  1
  Si  Si138  1  0.166489  0.000791  0.833954  1
  Si  Si139  1  0.162203  0.333557  0.162330  1
  Si  Si140  1  0.166489  0.333219  0.499647  1
  Si  Si141  1  0.166218  0.334225  0.832087  1
  Si  Si142  1  0.166463  0.666712  0.166385  1
  Si  Si143  1  0.166547  0.666313  0.499807  1
  Si  Si144  1  0.166327  0.667138  0.832910  1
  Si  Si145  1  0.500491  0.999413  0.166971  1
  Si  Si146  1  0.500190  0.999822  0.500191  1
  Si  Si147  1  0.499736  0.000153  0.833599  1
  Si  Si148  1  0.499717  0.333078  0.166489  1
  Si  Si149  1  0.500059  0.333075  0.500022  1
  Si  Si150  1  0.499055  0.333244  0.833645  1
  Si  Si151  1  0.499821  0.666329  0.166622  1
  Si  Si152  1  0.499728  0.666463  0.499899  1
  Si  Si153  1  0.499652  0.666737  0.833372  1
  Si  Si154  1  0.834090  0.000801  0.166519  1
  Si  Si155  1  0.833580  0.000081  0.499735  1
  Si  Si156  1  0.833099  0.000429  0.833104  1
  Si  Si157  1  0.832127  0.334208  0.166174  1
  Si  Si158  1  0.833450  0.333356  0.499168  1
  Si  Si159  1  0.832856  0.333955  0.832815  1
  Si  Si160  1  0.832856  0.667186  0.166303  1
  Si  Si161  1  0.833205  0.666744  0.499667  1
  Si  Si162  1  0.833022  0.667061  0.833057  1
  Si  Si163  1  0.086300  0.082501  0.086314  1
  Si  Si164  1  0.083494  0.082611  0.417564  1
  Si  Si165  1  0.083233  0.083652  0.749956  1
  Si  Si166  1  0.081015  0.419610  0.081068  1
  Si  Si167  1  0.083269  0.416196  0.415743  1
  Si  Si168  1  0.082726  0.417444  0.749265  1
  Si  Si169  1  0.083145  0.750198  0.083080  1
  Si  Si170  1  0.083227  0.749686  0.416775  1
  Si  Si171  1  0.082913  0.750400  0.749809  1
  Si  Si172  1  0.417558  0.082527  0.083529  1
  Si  Si173  1  0.416937  0.082939  0.416908  1
  Si  Si174  1  0.416156  0.083573  0.750598  1
  Si  Si175  1  0.415693  0.416045  0.083372  1
  Si  Si176  1  0.416594  0.416286  0.416541  1
  Si  Si177  1  0.416147  0.416703  0.749943  1
  Si  Si178  1  0.416806  0.749678  0.083278  1
  Si  Si179  1  0.416426  0.749722  0.416524  1
  Si  Si180  1  0.416206  0.750089  0.750043  1
  Si  Si181  1  0.750115  0.083571  0.083173  1
  Si  Si182  1  0.750633  0.083542  0.416160  1
  Si  Si183  1  0.749677  0.083685  0.749666  1
  Si  Si184  1  0.749275  0.417420  0.082678  1
  Si  Si185  1  0.749866  0.416763  0.416141  1
  Si  Si186  1  0.749509  0.416952  0.749549  1
  Si  Si187  1  0.749710  0.750433  0.082969  1
  Si  Si188  1  0.749946  0.750177  0.416295  1
  Si  Si189  1  0.749649  0.750322  0.749711  1
  Si  Si190  1  0.162128  0.170808  0.000304  1
  Si  Si191  1  0.168417  0.164977  0.335652  1
  Si  Si192  1  0.166453  0.166912  0.666611  1
  Si  Si193  1  0.166205  0.501401  0.999026  1
  Si  Si194  1  0.166458  0.499368  0.332508  1
  Si  Si195  1  0.166324  0.500310  0.666150  1
  Si  Si196  1  0.166434  0.833646  0.000028  1
  Si  Si197  1  0.166857  0.832809  0.333822  1
  Si  Si198  1  0.166547  0.833475  0.666986  1
  Si  Si199  1  0.499637  0.166753  0.000134  1
  Si  Si200  1  0.500546  0.166304  0.333923  1
  Si  Si201  1  0.499864  0.166642  0.667030  1
  Si  Si202  1  0.499033  0.499628  0.000049  1
  Si  Si203  1  0.499731  0.499672  0.333118  1
  Si  Si204  1  0.499646  0.499936  0.666588  1
  Si  Si205  1  0.500047  0.833298  0.000244  1
  Si  Si206  1  0.500178  0.833059  0.333428  1
  Si  Si207  1  0.499727  0.833353  0.666804  1
  Si  Si208  1  0.832158  0.167087  0.999071  1
  Si  Si209  1  0.834019  0.166747  0.332504  1
  Si  Si210  1  0.832929  0.166962  0.666184  1
  Si  Si211  1  0.832823  0.500447  0.999311  1
  Si  Si212  1  0.833121  0.500144  0.332841  1
  Si  Si213  1  0.833039  0.500180  0.666182  1
  Si  Si214  1  0.833314  0.834010  0.999898  1
  Si  Si215  1  0.833569  0.833568  0.333189  1
  Si  Si216  1  0.833183  0.833577  0.666472  1
  B  B217  1  0.119980  0.214513  0.119674  1