# generated using pymatgen
data_Si215B
_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   Si215B
_chemical_formula_sum   'Si215 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  0.250014  0.250040  0.415878  1
  Si  Si2  1  0.250057  0.250034  0.750857  1
  Si  Si3  1  0.250085  0.582491  0.083303  1
  Si  Si4  1  0.249831  0.582143  0.415614  1
  Si  Si5  1  0.250220  0.582270  0.751135  1
  Si  Si6  1  0.250015  0.917500  0.083341  1
  Si  Si7  1  0.250114  0.917792  0.415491  1
  Si  Si8  1  0.249833  0.917861  0.751103  1
  Si  Si9  1  0.582566  0.249965  0.083330  1
  Si  Si10  1  0.582196  0.249774  0.415511  1
  Si  Si11  1  0.582257  0.250160  0.751126  1
  Si  Si12  1  0.582191  0.582225  0.083122  1
  Si  Si13  1  0.583223  0.583254  0.416443  1
  Si  Si14  1  0.583360  0.583285  0.750073  1
  Si  Si15  1  0.582214  0.917847  0.083435  1
  Si  Si16  1  0.583175  0.916777  0.416400  1
  Si  Si17  1  0.583273  0.916868  0.750011  1
  Si  Si18  1  0.917543  0.249982  0.083340  1
  Si  Si19  1  0.917833  0.250165  0.415455  1
  Si  Si20  1  0.917842  0.249913  0.751103  1
  Si  Si21  1  0.917856  0.582202  0.083449  1
  Si  Si22  1  0.916723  0.583184  0.416379  1
  Si  Si23  1  0.916755  0.583140  0.750098  1
  Si  Si24  1  0.917890  0.917784  0.083051  1
  Si  Si25  1  0.916823  0.916688  0.416466  1
  Si  Si26  1  0.916864  0.916851  0.749968  1
  Si  Si27  1  0.002121  0.002094  0.000471  1
  Si  Si28  1  0.000190  0.000052  0.333196  1
  Si  Si29  1  0.000278  0.000410  0.666826  1
  Si  Si30  1  0.001123  0.333351  0.000012  1
  Si  Si31  1  0.002057  0.332847  0.331253  1
  Si  Si32  1  0.000283  0.333330  0.666876  1
  Si  Si33  1  0.000327  0.666421  0.000043  1
  Si  Si34  1  0.000230  0.666396  0.332939  1
  Si  Si35  1  0.000133  0.666634  0.666737  1
  Si  Si36  1  0.333345  0.001127  0.000002  1
  Si  Si37  1  0.332777  0.002051  0.331281  1
  Si  Si38  1  0.333273  0.000277  0.666853  1
  Si  Si39  1  0.323557  0.323485  0.009840  1
  Si  Si40  1  0.333353  0.333349  0.332244  1
  Si  Si41  1  0.333207  0.333197  0.667043  1
  Si  Si42  1  0.333215  0.666344  0.000131  1
  Si  Si43  1  0.333249  0.666324  0.333098  1
  Si  Si44  1  0.333078  0.666304  0.667154  1
  Si  Si45  1  0.666514  0.000234  0.000004  1
  Si  Si46  1  0.666427  0.000233  0.332945  1
  Si  Si47  1  0.666732  0.000222  0.666600  1
  Si  Si48  1  0.666359  0.333145  0.000134  1
  Si  Si49  1  0.666442  0.333134  0.333014  1
  Si  Si50  1  0.666119  0.333140  0.667089  1
  Si  Si51  1  0.666104  0.666208  0.000121  1
  Si  Si52  1  0.666609  0.666644  0.332999  1
  Si  Si53  1  0.666687  0.666637  0.666576  1
  Si  Si54  1  0.250926  0.086855  0.246487  1
  Si  Si55  1  0.249972  0.083616  0.583367  1
  Si  Si56  1  0.249134  0.086895  0.920159  1
  Si  Si57  1  0.249115  0.413176  0.246505  1
  Si  Si58  1  0.250029  0.416450  0.583404  1
  Si  Si59  1  0.251010  0.413169  0.920171  1
  Si  Si60  1  0.250005  0.749894  0.249788  1
  Si  Si61  1  0.249869  0.750115  0.583317  1
  Si  Si62  1  0.250084  0.750054  0.916892  1
  Si  Si63  1  0.582706  0.083560  0.249719  1
  Si  Si64  1  0.583219  0.083563  0.583196  1
  Si  Si65  1  0.583016  0.083648  0.916926  1
  Si  Si66  1  0.582958  0.416301  0.249667  1
  Si  Si67  1  0.583086  0.416479  0.583286  1
  Si  Si68  1  0.582771  0.416463  0.916886  1
  Si  Si69  1  0.583139  0.750097  0.249667  1
  Si  Si70  1  0.583302  0.750061  0.583179  1
  Si  Si71  1  0.583077  0.750035  0.916817  1
  Si  Si72  1  0.917183  0.083571  0.249654  1
  Si  Si73  1  0.916871  0.083655  0.583233  1
  Si  Si74  1  0.917337  0.083612  0.916863  1
  Si  Si75  1  0.917287  0.416417  0.249686  1
  Si  Si76  1  0.916899  0.416483  0.583184  1
  Si  Si77  1  0.917095  0.416375  0.916957  1
  Si  Si78  1  0.916862  0.749948  0.249611  1
  Si  Si79  1  0.916725  0.749892  0.583254  1
  Si  Si80  1  0.916974  0.750045  0.916795  1
  Si  Si81  1  0.001180  0.166663  0.166682  1
  Si  Si82  1  0.000327  0.166837  0.499712  1
  Si  Si83  1  0.002082  0.167266  0.835380  1
  Si  Si84  1  0.002078  0.497947  0.166124  1
  Si  Si85  1  0.000260  0.499821  0.499687  1
  Si  Si86  1  0.000155  0.499883  0.833472  1
  Si  Si87  1  0.000325  0.833551  0.166482  1
  Si  Si88  1  0.000165  0.833300  0.499970  1
  Si  Si89  1  0.000322  0.833682  0.833553  1
  Si  Si90  1  0.323518  0.176509  0.156834  1
  Si  Si91  1  0.333143  0.166872  0.499715  1
  Si  Si92  1  0.333414  0.166693  0.834431  1
  Si  Si93  1  0.333392  0.498871  0.166656  1
  Si  Si94  1  0.333297  0.499754  0.499838  1
  Si  Si95  1  0.332861  0.497983  0.835363  1
  Si  Si96  1  0.333117  0.833639  0.166528  1
  Si  Si97  1  0.333067  0.833859  0.499454  1
  Si  Si98  1  0.333272  0.833653  0.833553  1
  Si  Si99  1  0.666383  0.166760  0.166451  1
  Si  Si100  1  0.666251  0.166879  0.499405  1
  Si  Si101  1  0.666541  0.166769  0.833554  1
  Si  Si102  1  0.666411  0.499700  0.166494  1
  Si  Si103  1  0.666606  0.499797  0.499842  1
  Si  Si104  1  0.666499  0.499786  0.833600  1
  Si  Si105  1  0.666193  0.833878  0.166326  1
  Si  Si106  1  0.666640  0.833443  0.499747  1
  Si  Si107  1  0.666647  0.833394  0.833421  1
  Si  Si108  1  0.086883  0.250957  0.246505  1
  Si  Si109  1  0.083612  0.250096  0.583337  1
  Si  Si110  1  0.086881  0.249131  0.920177  1
  Si  Si111  1  0.083612  0.582704  0.249728  1
  Si  Si112  1  0.083533  0.583175  0.583339  1
  Si  Si113  1  0.083717  0.582925  0.916955  1
  Si  Si114  1  0.083682  0.917019  0.249656  1
  Si  Si115  1  0.083498  0.916926  0.583330  1
  Si  Si116  1  0.083653  0.917341  0.916865  1
  Si  Si117  1  0.413174  0.249070  0.246510  1
  Si  Si118  1  0.416441  0.249988  0.583395  1
  Si  Si119  1  0.413248  0.250925  0.920187  1
  Si  Si120  1  0.416412  0.582894  0.249685  1
  Si  Si121  1  0.416460  0.583219  0.583445  1
  Si  Si122  1  0.416485  0.582751  0.916854  1
  Si  Si123  1  0.416376  0.917272  0.249750  1
  Si  Si124  1  0.416451  0.916903  0.583185  1
  Si  Si125  1  0.416376  0.917140  0.916948  1
  Si  Si126  1  0.750058  0.249921  0.249688  1
  Si  Si127  1  0.750018  0.250113  0.583206  1
  Si  Si128  1  0.750087  0.250049  0.916871  1
  Si  Si129  1  0.750011  0.583144  0.249627  1
  Si  Si130  1  0.750016  0.583203  0.583128  1
  Si  Si131  1  0.750011  0.583240  0.916864  1
  Si  Si132  1  0.750020  0.916884  0.249634  1
  Si  Si133  1  0.750053  0.916827  0.583151  1
  Si  Si134  1  0.750136  0.916888  0.916738  1
  Si  Si135  1  0.166682  0.001117  0.166668  1
  Si  Si136  1  0.166756  0.000281  0.499755  1
  Si  Si137  1  0.167230  0.002143  0.835353  1
  Si  Si138  1  0.176541  0.323522  0.156843  1
  Si  Si139  1  0.166862  0.333253  0.499673  1
  Si  Si140  1  0.166716  0.333375  0.834450  1
  Si  Si141  1  0.166888  0.666281  0.166456  1
  Si  Si142  1  0.166845  0.666157  0.499504  1
  Si  Si143  1  0.166806  0.666474  0.833605  1
  Si  Si144  1  0.497935  0.002027  0.166138  1
  Si  Si145  1  0.499748  0.000302  0.499659  1
  Si  Si146  1  0.499926  0.000160  0.833430  1
  Si  Si147  1  0.498921  0.333288  0.166660  1
  Si  Si148  1  0.499727  0.333202  0.499755  1
  Si  Si149  1  0.498017  0.332824  0.835389  1
  Si  Si150  1  0.499732  0.666454  0.166540  1
  Si  Si151  1  0.499827  0.666626  0.499946  1
  Si  Si152  1  0.499755  0.666468  0.833489  1
  Si  Si153  1  0.833673  0.000257  0.166466  1
  Si  Si154  1  0.833445  0.000189  0.499825  1
  Si  Si155  1  0.833677  0.000325  0.833489  1
  Si  Si156  1  0.833672  0.333154  0.166433  1
  Si  Si157  1  0.833885  0.333158  0.499374  1
  Si  Si158  1  0.833580  0.333317  0.833536  1
  Si  Si159  1  0.833807  0.666168  0.166294  1
  Si  Si160  1  0.833359  0.666616  0.499727  1
  Si  Si161  1  0.833399  0.666699  0.833426  1
  Si  Si162  1  0.086896  0.086857  0.082388  1
  Si  Si163  1  0.083663  0.083647  0.416231  1
  Si  Si164  1  0.083575  0.083663  0.750604  1
  Si  Si165  1  0.086881  0.413170  0.084253  1
  Si  Si166  1  0.083558  0.416460  0.416044  1
  Si  Si167  1  0.083684  0.416402  0.750426  1
  Si  Si168  1  0.083669  0.749974  0.083275  1
  Si  Si169  1  0.083482  0.749879  0.416436  1
  Si  Si170  1  0.083554  0.750056  0.750218  1
  Si  Si171  1  0.413190  0.086839  0.084266  1
  Si  Si172  1  0.416360  0.083587  0.416057  1
  Si  Si173  1  0.416412  0.083649  0.750373  1
  Si  Si174  1  0.413219  0.413148  0.082394  1
  Si  Si175  1  0.416376  0.416367  0.416285  1
  Si  Si176  1  0.416487  0.416448  0.750641  1
  Si  Si177  1  0.416394  0.750035  0.083325  1
  Si  Si178  1  0.416388  0.749985  0.416477  1
  Si  Si179  1  0.416481  0.750104  0.750116  1
  Si  Si180  1  0.750078  0.083563  0.083237  1
  Si  Si181  1  0.750001  0.083507  0.416341  1
  Si  Si182  1  0.750157  0.083634  0.750073  1
  Si  Si183  1  0.750031  0.416427  0.083243  1
  Si  Si184  1  0.750004  0.416402  0.416352  1
  Si  Si185  1  0.749921  0.416474  0.750100  1
  Si  Si186  1  0.750008  0.750044  0.083140  1
  Si  Si187  1  0.749983  0.750035  0.416324  1
  Si  Si188  1  0.750041  0.750079  0.749971  1
  Si  Si189  1  0.176542  0.176538  0.009823  1
  Si  Si190  1  0.166696  0.166689  0.332242  1
  Si  Si191  1  0.166848  0.166917  0.667020  1
  Si  Si192  1  0.166722  0.498879  0.999988  1
  Si  Si193  1  0.167201  0.497948  0.331288  1
  Si  Si194  1  0.166781  0.499792  0.666934  1
  Si  Si195  1  0.166895  0.833697  0.000141  1
  Si  Si196  1  0.166732  0.833480  0.333071  1
  Si  Si197  1  0.166802  0.833933  0.667188  1
  Si  Si198  1  0.498965  0.166630  0.999997  1
  Si  Si199  1  0.497935  0.167148  0.331285  1
  Si  Si200  1  0.499825  0.166730  0.666883  1
  Si  Si201  1  0.497976  0.497968  0.000489  1
  Si  Si202  1  0.499915  0.499827  0.333181  1
  Si  Si203  1  0.499783  0.499774  0.666945  1
  Si  Si204  1  0.499710  0.833616  0.000073  1
  Si  Si205  1  0.499665  0.833537  0.333017  1
  Si  Si206  1  0.499889  0.833441  0.666572  1
  Si  Si207  1  0.833734  0.166867  0.000132  1
  Si  Si208  1  0.833644  0.166691  0.332998  1
  Si  Si209  1  0.833900  0.167016  0.667062  1
  Si  Si210  1  0.833602  0.499783  0.000044  1
  Si  Si211  1  0.833520  0.499696  0.332930  1
  Si  Si212  1  0.833348  0.499805  0.666590  1
  Si  Si213  1  0.833919  0.833853  0.000082  1
  Si  Si214  1  0.833409  0.833361  0.332985  1
  Si  Si215  1  0.833426  0.833454  0.666608  1
  B  B216  1  0.250013  0.250001  0.083340  1
