# 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  0.124653  0.208699  0.124644  1
  Si  Si2  1  0.253431  0.249063  0.084283  1
  Si  Si3  1  0.250703  0.249763  0.417967  1
  Si  Si4  1  0.249905  0.249926  0.749729  1
  Si  Si5  1  0.249815  0.583551  0.083397  1
  Si  Si6  1  0.250252  0.582977  0.416671  1
  Si  Si7  1  0.249881  0.583667  0.749734  1
  Si  Si8  1  0.250668  0.915380  0.083593  1
  Si  Si9  1  0.250265  0.916327  0.417003  1
  Si  Si10  1  0.250238  0.916679  0.750376  1
  Si  Si11  1  0.583512  0.250042  0.083335  1
  Si  Si12  1  0.583644  0.249946  0.416979  1
  Si  Si13  1  0.583005  0.249956  0.749968  1
  Si  Si14  1  0.583025  0.583332  0.083366  1
  Si  Si15  1  0.583431  0.583371  0.416734  1
  Si  Si16  1  0.583302  0.583295  0.750062  1
  Si  Si17  1  0.583555  0.916369  0.083430  1
  Si  Si18  1  0.583390  0.916412  0.416831  1
  Si  Si19  1  0.583274  0.916476  0.749959  1
  Si  Si20  1  0.914580  0.251388  0.081960  1
  Si  Si21  1  0.916964  0.249678  0.416532  1
  Si  Si22  1  0.916017  0.250417  0.749422  1
  Si  Si23  1  0.916016  0.583896  0.082970  1
  Si  Si24  1  0.916528  0.583500  0.416603  1
  Si  Si25  1  0.916388  0.583444  0.749852  1
  Si  Si26  1  0.916888  0.916836  0.083656  1
  Si  Si27  1  0.916569  0.916151  0.417180  1
  Si  Si28  1  0.916429  0.916725  0.749955  1
  Si  Si29  1  0.998202  0.000569  0.998239  1
  Si  Si30  1  0.001205  0.998776  0.334582  1
  Si  Si31  1  0.999960  0.999851  0.666710  1
  Si  Si32  1  0.999634  0.333684  0.999640  1
  Si  Si33  1  0.998223  0.335115  0.332782  1
  Si  Si34  1  0.999788  0.333530  0.666383  1
  Si  Si35  1  0.999679  0.666919  0.999766  1
  Si  Si36  1  0.000016  0.666692  0.333428  1
  Si  Si37  1  0.999945  0.666646  0.666672  1
  Si  Si38  1  0.334508  0.998798  0.001251  1
  Si  Si39  1  0.333832  0.999455  0.333941  1
  Si  Si40  1  0.333492  0.999755  0.666873  1
  Si  Si41  1  0.332775  0.335128  0.998220  1
  Si  Si42  1  0.334571  0.332088  0.334560  1
  Si  Si43  1  0.333453  0.333386  0.666709  1
  Si  Si44  1  0.333335  0.666690  0.000051  1
  Si  Si45  1  0.333413  0.666380  0.333458  1
  Si  Si46  1  0.333349  0.666781  0.666558  1
  Si  Si47  1  0.666525  0.999930  0.000052  1
  Si  Si48  1  0.666849  0.999772  0.333563  1
  Si  Si49  1  0.666445  0.999931  0.666604  1
  Si  Si50  1  0.666397  0.333551  0.999801  1
  Si  Si51  1  0.666639  0.333275  0.333398  1
  Si  Si52  1  0.666665  0.333230  0.666631  1
  Si  Si53  1  0.666636  0.666737  0.000120  1
  Si  Si54  1  0.666504  0.666844  0.333374  1
  Si  Si55  1  0.666665  0.666532  0.666669  1
  Si  Si56  1  0.250388  0.082929  0.250440  1
  Si  Si57  1  0.250248  0.082994  0.583626  1
  Si  Si58  1  0.251782  0.081588  0.917155  1
  Si  Si59  1  0.251790  0.416113  0.251756  1
  Si  Si60  1  0.249975  0.416799  0.583440  1
  Si  Si61  1  0.248749  0.417877  0.915436  1
  Si  Si62  1  0.250189  0.749703  0.250259  1
  Si  Si63  1  0.249983  0.750045  0.583432  1
  Si  Si64  1  0.249837  0.749920  0.916628  1
  Si  Si65  1  0.583605  0.083030  0.250297  1
  Si  Si66  1  0.583372  0.083245  0.583224  1
  Si  Si67  1  0.583202  0.083295  0.916568  1
  Si  Si68  1  0.583426  0.416818  0.249989  1
  Si  Si69  1  0.583501  0.416634  0.583480  1
  Si  Si70  1  0.583021  0.416749  0.916557  1
  Si  Si71  1  0.583208  0.750017  0.250046  1
  Si  Si72  1  0.583310  0.749799  0.583418  1
  Si  Si73  1  0.583424  0.749883  0.916736  1
  Si  Si74  1  0.917212  0.081562  0.251767  1
  Si  Si75  1  0.916563  0.083317  0.583460  1
  Si  Si76  1  0.915440  0.084582  0.915463  1
  Si  Si77  1  0.915437  0.417889  0.248784  1
  Si  Si78  1  0.916615  0.416816  0.583029  1
  Si  Si79  1  0.916123  0.417157  0.916191  1
  Si  Si80  1  0.916520  0.749951  0.250049  1
  Si  Si81  1  0.916556  0.749845  0.583528  1
  Si  Si82  1  0.916422  0.750285  0.916601  1
  Si  Si83  1  0.996527  0.167615  0.165689  1
  Si  Si84  1  0.000133  0.166649  0.500252  1
  Si  Si85  1  0.999306  0.166867  0.832031  1
  Si  Si86  1  0.999310  0.501285  0.166496  1
  Si  Si87  1  0.999860  0.499977  0.499618  1
  Si  Si88  1  0.999651  0.500247  0.833050  1
  Si  Si89  1  0.000060  0.833121  0.166697  1
  Si  Si90  1  0.000046  0.832981  0.500336  1
  Si  Si91  1  0.999736  0.833661  0.833475  1
  Si  Si92  1  0.335398  0.165315  0.168096  1
  Si  Si93  1  0.333925  0.166245  0.500654  1
  Si  Si94  1  0.333125  0.166887  0.833409  1
  Si  Si95  1  0.333065  0.499862  0.166413  1
  Si  Si96  1  0.333461  0.499907  0.500179  1
  Si  Si97  1  0.333406  0.500579  0.832951  1
  Si  Si98  1  0.333912  0.832724  0.167121  1
  Si  Si99  1  0.333525  0.833114  0.500168  1
  Si  Si100  1  0.333370  0.833118  0.833484  1
  Si  Si101  1  0.666524  0.166540  0.166780  1
  Si  Si102  1  0.666981  0.166572  0.499941  1
  Si  Si103  1  0.666296  0.166663  0.833101  1
  Si  Si104  1  0.666422  0.500309  0.166629  1
  Si  Si105  1  0.666651  0.499951  0.500035  1
  Si  Si106  1  0.666517  0.500041  0.833333  1
  Si  Si107  1  0.666855  0.833398  0.166811  1
  Si  Si108  1  0.666623  0.833222  0.500170  1
  Si  Si109  1  0.666583  0.833233  0.833339  1
  Si  Si110  1  0.084258  0.249065  0.253389  1
  Si  Si111  1  0.083332  0.250020  0.583507  1
  Si  Si112  1  0.081969  0.251378  0.914573  1
  Si  Si113  1  0.083402  0.583556  0.249937  1
  Si  Si114  1  0.083283  0.583332  0.583026  1
  Si  Si115  1  0.082850  0.583906  0.916036  1
  Si  Si116  1  0.083542  0.915402  0.250727  1
  Si  Si117  1  0.083300  0.916310  0.583697  1
  Si  Si118  1  0.083593  0.916839  0.916952  1
  Si  Si119  1  0.418006  0.249778  0.250749  1
  Si  Si120  1  0.416932  0.249991  0.583659  1
  Si  Si121  1  0.416508  0.249720  0.916930  1
  Si  Si122  1  0.416565  0.582952  0.250262  1
  Si  Si123  1  0.416730  0.583341  0.583481  1
  Si  Si124  1  0.416609  0.583528  0.916669  1
  Si  Si125  1  0.416891  0.916354  0.250343  1
  Si  Si126  1  0.416830  0.916428  0.583488  1
  Si  Si127  1  0.417060  0.916150  0.916640  1
  Si  Si128  1  0.749771  0.249858  0.249928  1
  Si  Si129  1  0.750087  0.250002  0.583029  1
  Si  Si130  1  0.749369  0.250368  0.916063  1
  Si  Si131  1  0.749668  0.583653  0.249960  1
  Si  Si132  1  0.749975  0.583240  0.583261  1
  Si  Si133  1  0.749784  0.583541  0.916549  1
  Si  Si134  1  0.750296  0.916726  0.250293  1
  Si  Si135  1  0.749835  0.916611  0.583452  1
  Si  Si136  1  0.749753  0.916769  0.916613  1
  Si  Si137  1  0.168017  0.997971  0.168045  1
  Si  Si138  1  0.167051  0.999282  0.500643  1
  Si  Si139  1  0.166447  0.000203  0.833460  1
  Si  Si140  1  0.165722  0.336805  0.165690  1
  Si  Si141  1  0.166671  0.333216  0.500236  1
  Si  Si142  1  0.166478  0.334016  0.832002  1
  Si  Si143  1  0.166672  0.666799  0.166726  1
  Si  Si144  1  0.166768  0.666435  0.499980  1
  Si  Si145  1  0.166541  0.666928  0.833062  1
  Si  Si146  1  0.500546  0.999352  0.167140  1
  Si  Si147  1  0.500117  0.999726  0.500138  1
  Si  Si148  1  0.500037  0.999794  0.833392  1
  Si  Si149  1  0.500241  0.333234  0.166687  1
  Si  Si150  1  0.500312  0.333213  0.500311  1
  Si  Si151  1  0.499653  0.333476  0.833373  1
  Si  Si152  1  0.499893  0.666395  0.166777  1
  Si  Si153  1  0.500040  0.666503  0.500070  1
  Si  Si154  1  0.500089  0.666677  0.833342  1
  Si  Si155  1  0.833422  0.000235  0.166461  1
  Si  Si156  1  0.833407  0.999830  0.500221  1
  Si  Si157  1  0.832764  0.999954  0.832915  1
  Si  Si158  1  0.832034  0.333998  0.166502  1
  Si  Si159  1  0.833473  0.333499  0.499690  1
  Si  Si160  1  0.833030  0.333596  0.833089  1
  Si  Si161  1  0.833052  0.666943  0.166682  1
  Si  Si162  1  0.833239  0.666684  0.500073  1
  Si  Si163  1  0.833170  0.666811  0.833251  1
  Si  Si164  1  0.084290  0.079953  0.084238  1
  Si  Si165  1  0.083567  0.082602  0.418001  1
  Si  Si166  1  0.083372  0.083414  0.749780  1
  Si  Si167  1  0.081957  0.418743  0.081963  1
  Si  Si168  1  0.083653  0.416395  0.416519  1
  Si  Si169  1  0.082890  0.417275  0.749403  1
  Si  Si170  1  0.083159  0.749847  0.083304  1
  Si  Si171  1  0.083369  0.749704  0.416987  1
  Si  Si172  1  0.083188  0.750284  0.750087  1
  Si  Si173  1  0.417918  0.082638  0.083607  1
  Si  Si174  1  0.416927  0.083042  0.417008  1
  Si  Si175  1  0.416592  0.083040  0.750262  1
  Si  Si176  1  0.416527  0.416415  0.083633  1
  Si  Si177  1  0.417172  0.416728  0.417165  1
  Si  Si178  1  0.416593  0.416868  0.749970  1
  Si  Si179  1  0.416876  0.749685  0.083419  1
  Si  Si180  1  0.416726  0.749710  0.416845  1
  Si  Si181  1  0.416650  0.749857  0.750053  1
  Si  Si182  1  0.749727  0.083429  0.083388  1
  Si  Si183  1  0.750359  0.083020  0.416643  1
  Si  Si184  1  0.749597  0.083415  0.749741  1
  Si  Si185  1  0.749424  0.417277  0.082939  1
  Si  Si186  1  0.749871  0.416664  0.416590  1
  Si  Si187  1  0.749789  0.416800  0.749855  1
  Si  Si188  1  0.749997  0.750337  0.083420  1
  Si  Si189  1  0.749845  0.749978  0.416806  1
  Si  Si190  1  0.749841  0.749986  0.750002  1
  Si  Si191  1  0.165742  0.167637  0.996499  1
  Si  Si192  1  0.168002  0.165291  0.335404  1
  Si  Si193  1  0.166746  0.166525  0.666533  1
  Si  Si194  1  0.166428  0.501280  0.999286  1
  Si  Si195  1  0.166491  0.499863  0.333118  1
  Si  Si196  1  0.166596  0.500309  0.666408  1
  Si  Si197  1  0.166571  0.833131  0.000174  1
  Si  Si198  1  0.167064  0.832731  0.333958  1
  Si  Si199  1  0.166673  0.833357  0.667005  1
  Si  Si200  1  0.500198  0.166702  0.000175  1
  Si  Si201  1  0.500623  0.166213  0.334000  1
  Si  Si202  1  0.499954  0.166516  0.666829  1
  Si  Si203  1  0.499690  0.499958  0.999870  1
  Si  Si204  1  0.500161  0.499926  0.333447  1
  Si  Si205  1  0.500120  0.500009  0.666685  1
  Si  Si206  1  0.500226  0.833039  0.000153  1
  Si  Si207  1  0.500022  0.833105  0.333584  1
  Si  Si208  1  0.500005  0.833112  0.666748  1
  Si  Si209  1  0.832033  0.166860  0.999333  1
  Si  Si210  1  0.833495  0.166836  0.333125  1
  Si  Si211  1  0.833031  0.166669  0.666433  1
  Si  Si212  1  0.833041  0.500280  0.999740  1
  Si  Si213  1  0.832832  0.500462  0.333444  1
  Si  Si214  1  0.833219  0.499993  0.666516  1
  Si  Si215  1  0.833294  0.833699  0.999871  1
  Si  Si216  1  0.833356  0.833182  0.333499  1
  Si  Si217  1  0.833184  0.833238  0.666681  1