# generated using pymatgen
data_BeSi216
_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   BeSi216
_chemical_formula_sum   'Be1 Si216'
_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
  Be  Be1  1  0.083277  0.250046  0.083479  1
  Si  Si2  1  0.250997  0.250094  0.083355  1
  Si  Si3  1  0.249866  0.250165  0.417021  1
  Si  Si4  1  0.249827  0.249959  0.749576  1
  Si  Si5  1  0.249853  0.583737  0.083469  1
  Si  Si6  1  0.250428  0.583630  0.416912  1
  Si  Si7  1  0.250022  0.583622  0.749826  1
  Si  Si8  1  0.249995  0.916303  0.083181  1
  Si  Si9  1  0.250100  0.916522  0.416866  1
  Si  Si10  1  0.250407  0.916367  0.749684  1
  Si  Si11  1  0.583417  0.250124  0.083196  1
  Si  Si12  1  0.583507  0.250004  0.416511  1
  Si  Si13  1  0.583251  0.250056  0.750177  1
  Si  Si14  1  0.583562  0.583316  0.083376  1
  Si  Si15  1  0.583471  0.583408  0.416771  1
  Si  Si16  1  0.583273  0.583356  0.749820  1
  Si  Si17  1  0.583346  0.916731  0.083164  1
  Si  Si18  1  0.583332  0.916833  0.416700  1
  Si  Si19  1  0.583434  0.916696  0.749877  1
  Si  Si20  1  0.915799  0.249906  0.083343  1
  Si  Si21  1  0.916871  0.249960  0.416965  1
  Si  Si22  1  0.916847  0.250146  0.749651  1
  Si  Si23  1  0.916837  0.583857  0.083273  1
  Si  Si24  1  0.916754  0.583662  0.416899  1
  Si  Si25  1  0.916298  0.583601  0.749782  1
  Si  Si26  1  0.916894  0.916405  0.083380  1
  Si  Si27  1  0.916376  0.916435  0.416967  1
  Si  Si28  1  0.916688  0.916525  0.749687  1
  Si  Si29  1  0.999291  0.999816  0.999072  1
  Si  Si30  1  0.000724  0.999304  0.334001  1
  Si  Si31  1  0.999911  0.000002  0.666579  1
  Si  Si32  1  0.998422  0.334891  0.998432  1
  Si  Si33  1  0.999225  0.334270  0.333498  1
  Si  Si34  1  0.999906  0.333403  0.666280  1
  Si  Si35  1  0.999962  0.667126  0.999959  1
  Si  Si36  1  0.999873  0.666848  0.333373  1
  Si  Si37  1  0.000083  0.666656  0.666683  1
  Si  Si38  1  0.334095  0.999395  0.000669  1
  Si  Si39  1  0.334051  0.999432  0.333932  1
  Si  Si40  1  0.333458  0.999890  0.666472  1
  Si  Si41  1  0.333503  0.334286  0.999073  1
  Si  Si42  1  0.334089  0.332650  0.334003  1
  Si  Si43  1  0.333317  0.333578  0.666550  1
  Si  Si44  1  0.333423  0.666702  0.999860  1
  Si  Si45  1  0.333455  0.666836  0.333339  1
  Si  Si46  1  0.333440  0.666745  0.666497  1
  Si  Si47  1  0.666621  0.999989  0.999746  1
  Si  Si48  1  0.666618  0.000080  0.333348  1
  Si  Si49  1  0.666626  0.000044  0.666563  1
  Si  Si50  1  0.666453  0.333462  0.999898  1
  Si  Si51  1  0.666702  0.333581  0.333305  1
  Si  Si52  1  0.666658  0.333247  0.666726  1
  Si  Si53  1  0.666699  0.666863  0.000054  1
  Si  Si54  1  0.666618  0.666847  0.333441  1
  Si  Si55  1  0.666555  0.666746  0.666561  1
  Si  Si56  1  0.250725  0.082689  0.250726  1
  Si  Si57  1  0.250154  0.083254  0.583336  1
  Si  Si58  1  0.252406  0.081069  0.914330  1
  Si  Si59  1  0.252396  0.419001  0.252359  1
  Si  Si60  1  0.250116  0.416866  0.583295  1
  Si  Si61  1  0.250552  0.417427  0.915954  1
  Si  Si62  1  0.250181  0.750122  0.250101  1
  Si  Si63  1  0.250094  0.749971  0.583224  1
  Si  Si64  1  0.250220  0.750016  0.916579  1
  Si  Si65  1  0.583438  0.083300  0.249943  1
  Si  Si66  1  0.583421  0.083490  0.583356  1
  Si  Si67  1  0.583256  0.083350  0.916663  1
  Si  Si68  1  0.583449  0.416810  0.249961  1
  Si  Si69  1  0.583445  0.416553  0.583344  1
  Si  Si70  1  0.583364  0.416905  0.916521  1
  Si  Si71  1  0.583378  0.750075  0.250110  1
  Si  Si72  1  0.583339  0.750163  0.583241  1
  Si  Si73  1  0.583348  0.749944  0.916503  1
  Si  Si74  1  0.914357  0.080979  0.252334  1
  Si  Si75  1  0.916616  0.083351  0.583438  1
  Si  Si76  1  0.916027  0.082609  0.915926  1
  Si  Si77  1  0.916083  0.417461  0.250644  1
  Si  Si78  1  0.916511  0.416865  0.583220  1
  Si  Si79  1  0.914386  0.419022  0.914374  1
  Si  Si80  1  0.916571  0.750123  0.250116  1
  Si  Si81  1  0.916673  0.749926  0.583445  1
  Si  Si82  1  0.916566  0.750215  0.916500  1
  Si  Si83  1  0.998494  0.164957  0.168258  1
  Si  Si84  1  0.999982  0.166680  0.500242  1
  Si  Si85  1  0.999196  0.165796  0.833105  1
  Si  Si86  1  0.999237  0.500361  0.167526  1
  Si  Si87  1  0.999886  0.500140  0.500088  1
  Si  Si88  1  0.000697  0.500689  0.832680  1
  Si  Si89  1  0.000005  0.833127  0.166660  1
  Si  Si90  1  0.000022  0.833276  0.500172  1
  Si  Si91  1  0.999870  0.833396  0.833214  1
  Si  Si92  1  0.333582  0.165883  0.167576  1
  Si  Si93  1  0.333365  0.166554  0.500048  1
  Si  Si94  1  0.333989  0.167415  0.832588  1
  Si  Si95  1  0.334020  0.500650  0.165947  1
  Si  Si96  1  0.333520  0.500073  0.500084  1
  Si  Si97  1  0.333897  0.500682  0.832779  1
  Si  Si98  1  0.333522  0.833275  0.166794  1
  Si  Si99  1  0.333468  0.833200  0.500007  1
  Si  Si100  1  0.333498  0.833200  0.833224  1
  Si  Si101  1  0.666444  0.166753  0.166541  1
  Si  Si102  1  0.666750  0.166788  0.500054  1
  Si  Si103  1  0.666543  0.166544  0.833355  1
  Si  Si104  1  0.666824  0.500089  0.166865  1
  Si  Si105  1  0.666629  0.500018  0.500116  1
  Si  Si106  1  0.666596  0.500207  0.833256  1
  Si  Si107  1  0.666578  0.833378  0.166630  1
  Si  Si108  1  0.666666  0.833534  0.500000  1
  Si  Si109  1  0.666567  0.833249  0.833208  1
  Si  Si110  1  0.083361  0.249945  0.250943  1
  Si  Si111  1  0.083293  0.250052  0.583248  1
  Si  Si112  1  0.083346  0.249969  0.915776  1
  Si  Si113  1  0.083533  0.583804  0.249927  1
  Si  Si114  1  0.083422  0.583233  0.583422  1
  Si  Si115  1  0.083175  0.583775  0.916831  1
  Si  Si116  1  0.083280  0.916281  0.249888  1
  Si  Si117  1  0.083427  0.916696  0.583407  1
  Si  Si118  1  0.083570  0.916335  0.916710  1
  Si  Si119  1  0.417150  0.250104  0.249904  1
  Si  Si120  1  0.416565  0.250084  0.583314  1
  Si  Si121  1  0.416990  0.249953  0.916769  1
  Si  Si122  1  0.416975  0.583563  0.250305  1
  Si  Si123  1  0.416865  0.583337  0.583389  1
  Si  Si124  1  0.416912  0.583505  0.916713  1
  Si  Si125  1  0.416965  0.916543  0.249949  1
  Si  Si126  1  0.416805  0.916582  0.583192  1
  Si  Si127  1  0.416983  0.916457  0.916272  1
  Si  Si128  1  0.749712  0.249935  0.249780  1
  Si  Si129  1  0.750182  0.250024  0.583436  1
  Si  Si130  1  0.749663  0.250156  0.916763  1
  Si  Si131  1  0.749912  0.583598  0.250138  1
  Si  Si132  1  0.749908  0.583498  0.583255  1
  Si  Si133  1  0.749836  0.583691  0.916390  1
  Si  Si134  1  0.749750  0.916497  0.250297  1
  Si  Si135  1  0.750029  0.916717  0.583419  1
  Si  Si136  1  0.749781  0.916477  0.916615  1
  Si  Si137  1  0.167643  0.999726  0.167566  1
  Si  Si138  1  0.166907  0.999933  0.500124  1
  Si  Si139  1  0.166135  0.999350  0.832624  1
  Si  Si140  1  0.168285  0.334923  0.168307  1
  Si  Si141  1  0.166682  0.333399  0.500282  1
  Si  Si142  1  0.167442  0.334200  0.833089  1
  Si  Si143  1  0.166702  0.667082  0.166684  1
  Si  Si144  1  0.166620  0.666704  0.500036  1
  Si  Si145  1  0.166886  0.666759  0.833377  1
  Si  Si146  1  0.500157  0.999969  0.166738  1
  Si  Si147  1  0.500164  0.000086  0.500139  1
  Si  Si148  1  0.500192  0.000022  0.833243  1
  Si  Si149  1  0.500330  0.333348  0.166609  1
  Si  Si150  1  0.500161  0.333211  0.500008  1
  Si  Si151  1  0.499997  0.333628  0.833318  1
  Si  Si152  1  0.500193  0.666692  0.166664  1
  Si  Si153  1  0.500078  0.666685  0.500012  1
  Si  Si154  1  0.500102  0.666671  0.833238  1
  Si  Si155  1  0.832691  0.999371  0.165927  1
  Si  Si156  1  0.833381  0.000001  0.500179  1
  Si  Si157  1  0.832752  0.999352  0.832699  1
  Si  Si158  1  0.833251  0.334220  0.167488  1
  Si  Si159  1  0.833307  0.333491  0.500038  1
  Si  Si160  1  0.832723  0.332697  0.832681  1
  Si  Si161  1  0.833284  0.666830  0.166901  1
  Si  Si162  1  0.833277  0.666862  0.500074  1
  Si  Si163  1  0.833277  0.666907  0.833266  1
  Si  Si164  1  0.083479  0.082342  0.083339  1
  Si  Si165  1  0.083246  0.083404  0.417103  1
  Si  Si166  1  0.083525  0.083449  0.749642  1
  Si  Si167  1  0.083329  0.417577  0.083381  1
  Si  Si168  1  0.083486  0.416614  0.417042  1
  Si  Si169  1  0.083172  0.416536  0.749583  1
  Si  Si170  1  0.083366  0.750148  0.083299  1
  Si  Si171  1  0.083329  0.750095  0.416664  1
  Si  Si172  1  0.083353  0.749963  0.750162  1
  Si  Si173  1  0.417054  0.083533  0.083280  1
  Si  Si174  1  0.416906  0.083395  0.416900  1
  Si  Si175  1  0.416922  0.083021  0.749692  1
  Si  Si176  1  0.417076  0.416553  0.083374  1
  Si  Si177  1  0.417064  0.416974  0.416892  1
  Si  Si178  1  0.416758  0.416703  0.749797  1
  Si  Si179  1  0.416729  0.749893  0.083339  1
  Si  Si180  1  0.416851  0.750035  0.416671  1
  Si  Si181  1  0.416805  0.749910  0.749874  1
  Si  Si182  1  0.749648  0.083465  0.083364  1
  Si  Si183  1  0.749871  0.083056  0.416926  1
  Si  Si184  1  0.749759  0.083350  0.749916  1
  Si  Si185  1  0.749753  0.416563  0.083178  1
  Si  Si186  1  0.749863  0.416691  0.416868  1
  Si  Si187  1  0.749770  0.417061  0.749781  1
  Si  Si188  1  0.750115  0.750159  0.083400  1
  Si  Si189  1  0.749908  0.750141  0.416763  1
  Si  Si190  1  0.749867  0.750028  0.749850  1
  Si  Si191  1  0.168337  0.165128  0.998471  1
  Si  Si192  1  0.167513  0.165785  0.333609  1
  Si  Si193  1  0.166658  0.166688  0.666343  1
  Si  Si194  1  0.167446  0.500268  0.999174  1
  Si  Si195  1  0.166070  0.500707  0.334014  1
  Si  Si196  1  0.166907  0.500059  0.666681  1
  Si  Si197  1  0.166763  0.833096  0.999953  1
  Si  Si198  1  0.166888  0.833296  0.333448  1
  Si  Si199  1  0.166686  0.833168  0.666632  1
  Si  Si200  1  0.500222  0.166762  0.000028  1
  Si  Si201  1  0.500180  0.166459  0.333363  1
  Si  Si202  1  0.500027  0.166802  0.666599  1
  Si  Si203  1  0.500181  0.500121  0.999892  1
  Si  Si204  1  0.500258  0.500068  0.333351  1
  Si  Si205  1  0.500130  0.499908  0.666548  1
  Si  Si206  1  0.500061  0.833206  0.999949  1
  Si  Si207  1  0.500156  0.833355  0.333401  1
  Si  Si208  1  0.500039  0.833378  0.666651  1
  Si  Si209  1  0.833142  0.165788  0.999071  1
  Si  Si210  1  0.832740  0.167411  0.333943  1
  Si  Si211  1  0.833293  0.166491  0.666730  1
  Si  Si212  1  0.832774  0.500758  0.000717  1
  Si  Si213  1  0.832865  0.500660  0.334032  1
  Si  Si214  1  0.833216  0.500136  0.666502  1
  Si  Si215  1  0.833292  0.833397  0.999834  1
  Si  Si216  1  0.833263  0.833317  0.333399  1
  Si  Si217  1  0.833283  0.833219  0.666577  1