# generated using pymatgen
data_BeSi215
_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   BeSi215
_chemical_formula_sum   'Be1 Si215'
_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  0.250000  0.250000  0.083328  1
  Si  Si2  1  0.250000  0.250000  0.415871  1
  Si  Si3  1  0.250000  0.250000  0.750809  1
  Si  Si4  1  0.250000  0.582530  0.083328  1
  Si  Si5  1  0.249912  0.583105  0.416439  1
  Si  Si6  1  0.250082  0.583094  0.750241  1
  Si  Si7  1  0.250000  0.917470  0.083328  1
  Si  Si8  1  0.250088  0.916895  0.416439  1
  Si  Si9  1  0.249918  0.916906  0.750241  1
  Si  Si10  1  0.582530  0.250000  0.083328  1
  Si  Si11  1  0.583105  0.249912  0.416439  1
  Si  Si12  1  0.583094  0.250082  0.750241  1
  Si  Si13  1  0.583098  0.583098  0.083243  1
  Si  Si14  1  0.583152  0.583152  0.416481  1
  Si  Si15  1  0.583209  0.583209  0.750119  1
  Si  Si16  1  0.583102  0.916898  0.083416  1
  Si  Si17  1  0.583210  0.916790  0.416536  1
  Si  Si18  1  0.583152  0.916848  0.750176  1
  Si  Si19  1  0.917470  0.250000  0.083328  1
  Si  Si20  1  0.916895  0.250088  0.416439  1
  Si  Si21  1  0.916906  0.249918  0.750241  1
  Si  Si22  1  0.916898  0.583102  0.083416  1
  Si  Si23  1  0.916790  0.583210  0.416536  1
  Si  Si24  1  0.916848  0.583152  0.750176  1
  Si  Si25  1  0.916902  0.916902  0.083243  1
  Si  Si26  1  0.916848  0.916848  0.416481  1
  Si  Si27  1  0.916791  0.916791  0.750119  1
  Si  Si28  1  0.000563  0.000563  0.000488  1
  Si  Si29  1  0.000267  0.000267  0.333070  1
  Si  Si30  1  0.000184  0.000184  0.666792  1
  Si  Si31  1  0.001359  0.333169  0.000160  1
  Si  Si32  1  0.000562  0.332837  0.332773  1
  Si  Si33  1  0.000235  0.333278  0.666868  1
  Si  Si34  1  0.000245  0.666468  0.000068  1
  Si  Si35  1  0.000185  0.666536  0.333146  1
  Si  Si36  1  0.000102  0.666570  0.666752  1
  Si  Si37  1  0.333169  0.001359  0.000160  1
  Si  Si38  1  0.332837  0.000562  0.332773  1
  Si  Si39  1  0.333278  0.000235  0.666868  1
  Si  Si40  1  0.328156  0.328156  0.005174  1
  Si  Si41  1  0.333166  0.333166  0.331972  1
  Si  Si42  1  0.333180  0.333180  0.666992  1
  Si  Si43  1  0.333185  0.666356  0.000160  1
  Si  Si44  1  0.333269  0.666462  0.333090  1
  Si  Si45  1  0.333336  0.666575  0.666765  1
  Si  Si46  1  0.666468  0.000245  0.000068  1
  Si  Si47  1  0.666536  0.000185  0.333146  1
  Si  Si48  1  0.666570  0.000102  0.666752  1
  Si  Si49  1  0.666356  0.333185  0.000160  1
  Si  Si50  1  0.666462  0.333269  0.333090  1
  Si  Si51  1  0.666575  0.333336  0.666765  1
  Si  Si52  1  0.666580  0.666580  0.999988  1
  Si  Si53  1  0.666572  0.666572  0.333223  1
  Si  Si54  1  0.666629  0.666629  0.666700  1
  Si  Si55  1  0.251764  0.085081  0.248251  1
  Si  Si56  1  0.250004  0.083576  0.583349  1
  Si  Si57  1  0.248237  0.085081  0.918413  1
  Si  Si58  1  0.248236  0.414919  0.248251  1
  Si  Si59  1  0.249996  0.416424  0.583349  1
  Si  Si60  1  0.251763  0.414919  0.918413  1
  Si  Si61  1  0.250000  0.750000  0.249756  1
  Si  Si62  1  0.250000  0.750000  0.583431  1
  Si  Si63  1  0.250000  0.750000  0.916915  1
  Si  Si64  1  0.582880  0.083485  0.249848  1
  Si  Si65  1  0.583128  0.083443  0.583337  1
  Si  Si66  1  0.582832  0.083753  0.917086  1
  Si  Si67  1  0.582825  0.416246  0.249580  1
  Si  Si68  1  0.583121  0.416558  0.583308  1
  Si  Si69  1  0.582886  0.416514  0.916819  1
  Si  Si70  1  0.583134  0.749988  0.249876  1
  Si  Si71  1  0.583206  0.749999  0.583329  1
  Si  Si72  1  0.583117  0.750020  0.916765  1
  Si  Si73  1  0.917175  0.083754  0.249580  1
  Si  Si74  1  0.916879  0.083442  0.583308  1
  Si  Si75  1  0.917114  0.083486  0.916819  1
  Si  Si76  1  0.917120  0.416515  0.249848  1
  Si  Si77  1  0.916872  0.416557  0.583337  1
  Si  Si78  1  0.917168  0.416247  0.917086  1
  Si  Si79  1  0.916866  0.750012  0.249876  1
  Si  Si80  1  0.916794  0.750001  0.583329  1
  Si  Si81  1  0.916883  0.749980  0.916765  1
  Si  Si82  1  0.001362  0.166832  0.166499  1
  Si  Si83  1  0.000247  0.166737  0.499799  1
  Si  Si84  1  0.000564  0.167162  0.833898  1
  Si  Si85  1  0.000562  0.499438  0.166166  1
  Si  Si86  1  0.000184  0.499816  0.499857  1
  Si  Si87  1  0.000261  0.499739  0.833598  1
  Si  Si88  1  0.000238  0.833539  0.166607  1
  Si  Si89  1  0.000105  0.833424  0.499898  1
  Si  Si90  1  0.000182  0.833468  0.833515  1
  Si  Si91  1  0.328157  0.171843  0.161485  1
  Si  Si92  1  0.333178  0.166822  0.499698  1
  Si  Si93  1  0.333171  0.166829  0.834692  1
  Si  Si94  1  0.333168  0.498638  0.166499  1
  Si  Si95  1  0.333263  0.499753  0.499799  1
  Si  Si96  1  0.332838  0.499436  0.833898  1
  Si  Si97  1  0.333176  0.833655  0.166518  1
  Si  Si98  1  0.333296  0.833386  0.499952  1
  Si  Si99  1  0.333270  0.833532  0.833575  1
  Si  Si100  1  0.666345  0.166824  0.166518  1
  Si  Si101  1  0.666614  0.166704  0.499952  1
  Si  Si102  1  0.666468  0.166730  0.833575  1
  Si  Si103  1  0.666461  0.499762  0.166607  1
  Si  Si104  1  0.666576  0.499895  0.499898  1
  Si  Si105  1  0.666532  0.499818  0.833515  1
  Si  Si106  1  0.666611  0.833389  0.166621  1
  Si  Si107  1  0.666629  0.833371  0.499958  1
  Si  Si108  1  0.666572  0.833428  0.833429  1
  Si  Si109  1  0.085081  0.251764  0.248251  1
  Si  Si110  1  0.083576  0.250004  0.583349  1
  Si  Si111  1  0.085081  0.248237  0.918413  1
  Si  Si112  1  0.083485  0.582880  0.249848  1
  Si  Si113  1  0.083443  0.583128  0.583337  1
  Si  Si114  1  0.083753  0.582832  0.917086  1
  Si  Si115  1  0.083754  0.917175  0.249580  1
  Si  Si116  1  0.083442  0.916879  0.583308  1
  Si  Si117  1  0.083486  0.917114  0.916819  1
  Si  Si118  1  0.414919  0.248236  0.248251  1
  Si  Si119  1  0.416424  0.249996  0.583349  1
  Si  Si120  1  0.414919  0.251763  0.918413  1
  Si  Si121  1  0.416246  0.582825  0.249580  1
  Si  Si122  1  0.416558  0.583121  0.583308  1
  Si  Si123  1  0.416514  0.582886  0.916819  1
  Si  Si124  1  0.416515  0.917120  0.249848  1
  Si  Si125  1  0.416557  0.916872  0.583337  1
  Si  Si126  1  0.416247  0.917168  0.917086  1
  Si  Si127  1  0.750000  0.250000  0.249756  1
  Si  Si128  1  0.750000  0.250000  0.583431  1
  Si  Si129  1  0.750000  0.250000  0.916915  1
  Si  Si130  1  0.749988  0.583134  0.249876  1
  Si  Si131  1  0.749999  0.583206  0.583329  1
  Si  Si132  1  0.750020  0.583117  0.916765  1
  Si  Si133  1  0.750012  0.916866  0.249876  1
  Si  Si134  1  0.750001  0.916794  0.583329  1
  Si  Si135  1  0.749980  0.916883  0.916765  1
  Si  Si136  1  0.166832  0.001362  0.166499  1
  Si  Si137  1  0.166737  0.000247  0.499799  1
  Si  Si138  1  0.167162  0.000564  0.833898  1
  Si  Si139  1  0.171843  0.328157  0.161485  1
  Si  Si140  1  0.166822  0.333178  0.499698  1
  Si  Si141  1  0.166829  0.333171  0.834692  1
  Si  Si142  1  0.166824  0.666345  0.166518  1
  Si  Si143  1  0.166704  0.666614  0.499952  1
  Si  Si144  1  0.166730  0.666468  0.833575  1
  Si  Si145  1  0.499438  0.000562  0.166166  1
  Si  Si146  1  0.499816  0.000184  0.499857  1
  Si  Si147  1  0.499739  0.000261  0.833598  1
  Si  Si148  1  0.498638  0.333168  0.166499  1
  Si  Si149  1  0.499753  0.333263  0.499799  1
  Si  Si150  1  0.499436  0.332838  0.833898  1
  Si  Si151  1  0.499762  0.666461  0.166607  1
  Si  Si152  1  0.499895  0.666576  0.499898  1
  Si  Si153  1  0.499818  0.666533  0.833515  1
  Si  Si154  1  0.833539  0.000238  0.166607  1
  Si  Si155  1  0.833424  0.000105  0.499898  1
  Si  Si156  1  0.833468  0.000182  0.833515  1
  Si  Si157  1  0.833655  0.333176  0.166518  1
  Si  Si158  1  0.833386  0.333296  0.499952  1
  Si  Si159  1  0.833532  0.333270  0.833575  1
  Si  Si160  1  0.833389  0.666611  0.166621  1
  Si  Si161  1  0.833371  0.666629  0.499958  1
  Si  Si162  1  0.833428  0.666572  0.833429  1
  Si  Si163  1  0.085080  0.085080  0.081567  1
  Si  Si164  1  0.083757  0.083757  0.416162  1
  Si  Si165  1  0.083482  0.083482  0.750452  1
  Si  Si166  1  0.085079  0.414921  0.085092  1
  Si  Si167  1  0.083489  0.416511  0.416217  1
  Si  Si168  1  0.083749  0.416251  0.750505  1
  Si  Si169  1  0.083576  0.749999  0.083350  1
  Si  Si170  1  0.083457  0.750013  0.416463  1
  Si  Si171  1  0.083432  0.749982  0.750213  1
  Si  Si172  1  0.414921  0.085079  0.085092  1
  Si  Si173  1  0.416511  0.083489  0.416217  1
  Si  Si174  1  0.416251  0.083749  0.750505  1
  Si  Si175  1  0.414920  0.414920  0.081567  1
  Si  Si176  1  0.416243  0.416243  0.416162  1
  Si  Si177  1  0.416518  0.416518  0.750452  1
  Si  Si178  1  0.416424  0.750001  0.083350  1
  Si  Si179  1  0.416543  0.749987  0.416463  1
  Si  Si180  1  0.416568  0.750018  0.750213  1
  Si  Si181  1  0.749999  0.083576  0.083350  1
  Si  Si182  1  0.750013  0.083457  0.416463  1
  Si  Si183  1  0.749982  0.083432  0.750213  1
  Si  Si184  1  0.750001  0.416424  0.083350  1
  Si  Si185  1  0.749987  0.416543  0.416463  1
  Si  Si186  1  0.750018  0.416568  0.750213  1
  Si  Si187  1  0.750000  0.750000  0.083239  1
  Si  Si188  1  0.750000  0.750000  0.416537  1
  Si  Si189  1  0.750000  0.750000  0.750124  1
  Si  Si190  1  0.171844  0.171844  0.005174  1
  Si  Si191  1  0.166834  0.166834  0.331972  1
  Si  Si192  1  0.166820  0.166820  0.666992  1
  Si  Si193  1  0.166831  0.498641  0.000160  1
  Si  Si194  1  0.167163  0.499438  0.332773  1
  Si  Si195  1  0.166722  0.499765  0.666868  1
  Si  Si196  1  0.166815  0.833644  0.000160  1
  Si  Si197  1  0.166731  0.833538  0.333090  1
  Si  Si198  1  0.166664  0.833425  0.666765  1
  Si  Si199  1  0.498641  0.166831  0.000160  1
  Si  Si200  1  0.499438  0.167163  0.332773  1
  Si  Si201  1  0.499765  0.166722  0.666868  1
  Si  Si202  1  0.499437  0.499437  0.000488  1
  Si  Si203  1  0.499733  0.499733  0.333070  1
  Si  Si204  1  0.499816  0.499816  0.666792  1
  Si  Si205  1  0.499755  0.833532  0.000068  1
  Si  Si206  1  0.499815  0.833464  0.333146  1
  Si  Si207  1  0.499898  0.833430  0.666752  1
  Si  Si208  1  0.833644  0.166815  0.000160  1
  Si  Si209  1  0.833538  0.166731  0.333090  1
  Si  Si210  1  0.833425  0.166664  0.666765  1
  Si  Si211  1  0.833532  0.499755  0.000068  1
  Si  Si212  1  0.833464  0.499815  0.333146  1
  Si  Si213  1  0.833430  0.499898  0.666752  1
  Si  Si214  1  0.833420  0.833420  0.999988  1
  Si  Si215  1  0.833428  0.833428  0.333223  1
  Si  Si216  1  0.833371  0.833371  0.666700  1