# generated using pymatgen
data_BaSi216
_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   BaSi216
_chemical_formula_sum   'Ba1 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
  Ba  Ba1  1  -0.000067  0.333403  0.166742  1
  Si  Si2  1  0.254705  0.247512  0.080846  1
  Si  Si3  1  0.253430  0.250372  0.419731  1
  Si  Si4  1  0.251358  0.249317  0.748940  1
  Si  Si5  1  0.253427  0.586397  0.083704  1
  Si  Si6  1  0.250458  0.583335  0.416667  1
  Si  Si7  1  0.250497  0.583409  0.749391  1
  Si  Si8  1  0.251358  0.915607  0.082649  1
  Si  Si9  1  0.250497  0.916058  0.416742  1
  Si  Si10  1  0.250717  0.916233  0.749566  1
  Si  Si11  1  0.582764  0.249559  0.082893  1
  Si  Si12  1  0.582592  0.249486  0.417652  1
  Si  Si13  1  0.582613  0.249701  0.748923  1
  Si  Si14  1  0.582592  0.584319  0.082818  1
  Si  Si15  1  0.582908  0.583614  0.416948  1
  Si  Si16  1  0.583479  0.583318  0.749773  1
  Si  Si17  1  0.582613  0.915591  0.083033  1
  Si  Si18  1  0.583479  0.916437  0.416652  1
  Si  Si19  1  0.583685  0.916227  0.749560  1
  Si  Si20  1  0.904678  0.237741  0.071075  1
  Si  Si21  1  0.914463  0.247705  0.421152  1
  Si  Si22  1  0.916682  0.249488  0.749033  1
  Si  Si23  1  0.914463  0.587819  0.081035  1
  Si  Si24  1  0.917237  0.586634  0.419967  1
  Si  Si25  1  0.916599  0.584234  0.749004  1
  Si  Si26  1  0.916682  0.915701  0.082822  1
  Si  Si27  1  0.916601  0.915670  0.417564  1
  Si  Si28  1  0.916863  0.915640  0.748972  1
  Si  Si29  1  -0.000043  -0.002325  -0.001641  1
  Si  Si30  1  0.000597  -0.002281  0.334443  1
  Si  Si31  1  0.000278  -0.001066  0.666506  1
  Si  Si32  1  0.000267  0.333071  -0.012815  1
  Si  Si33  1  -0.000017  0.333345  0.346106  1
  Si  Si34  1  0.000209  0.333122  0.666502  1
  Si  Si35  1  0.000508  0.668560  -0.001508  1
  Si  Si36  1  -0.000302  0.668747  0.334679  1
  Si  Si37  1  0.000186  0.667427  0.666526  1
  Si  Si38  1  0.333895  -0.000563  -0.000647  1
  Si  Si39  1  0.335391  -0.002060  0.333736  1
  Si  Si40  1  0.333968  -0.000636  0.666370  1
  Si  Si41  1  0.335654  0.333375  -0.001639  1
  Si  Si42  1  0.335611  0.332737  0.334444  1
  Si  Si43  1  0.334398  0.333055  0.666507  1
  Si  Si44  1  0.335430  0.668330  -0.000811  1
  Si  Si45  1  0.333696  0.666660  0.333294  1
  Si  Si46  1  0.333735  0.666578  0.666260  1
  Si  Si47  1  0.665005  -0.002095  -0.000811  1
  Si  Si48  1  0.666675  -0.000355  0.333286  1
  Si  Si49  1  0.666755  -0.000402  0.666259  1
  Si  Si50  1  0.664772  0.332822  -0.001511  1
  Si  Si51  1  0.664584  0.333635  0.334680  1
  Si  Si52  1  0.665905  0.333145  0.666526  1
  Si  Si53  1  0.666736  0.666597  -0.000403  1
  Si  Si54  1  0.664781  0.668553  0.333991  1
  Si  Si55  1  0.666543  0.666797  0.666791  1
  Si  Si56  1  0.253464  0.079868  0.249187  1
  Si  Si57  1  0.250630  0.082702  0.583481  1
  Si  Si58  1  0.250616  0.082716  0.916049  1
  Si  Si59  1  0.254643  0.418641  0.251978  1
  Si  Si60  1  0.251293  0.416725  0.584010  1
  Si  Si61  1  0.253461  0.415853  0.913203  1
  Si  Si62  1  0.251294  0.750677  0.250059  1
  Si  Si63  1  0.250521  0.749727  0.583061  1
  Si  Si64  1  0.250629  0.750148  0.916035  1
  Si  Si65  1  0.582654  0.082043  0.250053  1
  Si  Si66  1  0.583606  0.082811  0.583059  1
  Si  Si67  1  0.583187  0.082709  0.916036  1
  Si  Si68  1  0.582585  0.416794  0.250125  1
  Si  Si69  1  0.582569  0.416568  0.584095  1
  Si  Si70  1  0.582653  0.416719  0.915376  1
  Si  Si71  1  0.582571  0.750759  0.249899  1
  Si  Si72  1  0.583495  0.749869  0.583207  1
  Si  Si73  1  0.583606  0.749726  0.916146  1
  Si  Si74  1  0.914686  0.078688  0.251981  1
  Si  Si75  1  0.916614  0.082045  0.584014  1
  Si  Si76  1  0.917482  0.079870  0.913203  1
  Si  Si77  1  0.904418  0.428908  0.262247  1
  Si  Si78  1  0.916546  0.416789  0.584080  1
  Si  Si79  1  0.914687  0.418644  0.912023  1
  Si  Si80  1  0.916545  0.750746  0.250121  1
  Si  Si81  1  0.916766  0.750759  0.584093  1
  Si  Si82  1  0.916614  0.750681  0.915379  1
  Si  Si83  1  0.000265  0.153851  0.166403  1
  Si  Si84  1  0.000508  0.165158  0.501894  1
  Si  Si85  1  -0.000044  0.165027  0.831012  1
  Si  Si86  1  -0.000019  0.512771  0.166683  1
  Si  Si87  1  -0.000302  0.501346  0.502080  1
  Si  Si88  1  0.000595  0.501109  0.831053  1
  Si  Si89  1  0.000208  0.833169  0.166456  1
  Si  Si90  1  0.000187  0.833193  0.500761  1
  Si  Si91  1  0.000277  0.833174  0.832268  1
  Si  Si92  1  0.335654  0.165027  0.166709  1
  Si  Si93  1  0.335431  0.165855  0.501663  1
  Si  Si94  1  0.333893  0.166019  0.832771  1
  Si  Si95  1  0.335607  0.501111  0.166072  1
  Si  Si96  1  0.333693  0.499959  0.499991  1
  Si  Si97  1  0.335391  0.500401  0.831274  1
  Si  Si98  1  0.334396  0.833175  0.166388  1
  Si  Si99  1  0.333736  0.832927  0.499912  1
  Si  Si100  1  0.333967  0.833037  0.832698  1
  Si  Si101  1  0.664773  0.165154  0.166156  1
  Si  Si102  1  0.666736  0.166264  0.499930  1
  Si  Si103  1  0.665007  0.165859  0.831234  1
  Si  Si104  1  0.664584  0.501348  0.166968  1
  Si  Si105  1  0.664782  0.500656  0.501887  1
  Si  Si106  1  0.666675  0.499952  0.832981  1
  Si  Si107  1  0.665905  0.833194  0.166477  1
  Si  Si108  1  0.666541  0.833457  0.500133  1
  Si  Si109  1  0.666755  0.832928  0.832932  1
  Si  Si110  1  0.095590  0.237737  0.261987  1
  Si  Si111  1  0.083776  0.249558  0.583901  1
  Si  Si112  1  0.085817  0.247515  0.911963  1
  Si  Si113  1  0.085627  0.587820  0.252202  1
  Si  Si114  1  0.083848  0.584319  0.584071  1
  Si  Si115  1  0.082960  0.586394  0.913237  1
  Si  Si116  1  0.083843  0.915701  0.249979  1
  Si  Si117  1  0.083633  0.915588  0.584054  1
  Si  Si118  1  0.084016  0.915607  0.915308  1
  Si  Si119  1  0.417634  0.249487  0.249982  1
  Si  Si120  1  0.417744  0.249700  0.584052  1
  Si  Si121  1  0.417727  0.249316  0.915306  1
  Si  Si122  1  0.417660  0.584235  0.250069  1
  Si  Si123  1  0.416896  0.583327  0.583183  1
  Si  Si124  1  0.417273  0.583412  0.916169  1
  Si  Si125  1  0.417694  0.915639  0.249803  1
  Si  Si126  1  0.417109  0.916222  0.582979  1
  Si  Si127  1  0.417100  0.916231  0.915947  1
  Si  Si128  1  0.745515  0.247705  0.252201  1
  Si  Si129  1  0.749014  0.249485  0.584075  1
  Si  Si130  1  0.746938  0.250375  0.913238  1
  Si  Si131  1  0.746698  0.586634  0.249429  1
  Si  Si132  1  0.749725  0.583608  0.583764  1
  Si  Si133  1  0.749998  0.583333  0.916210  1
  Si  Si134  1  0.749100  0.915673  0.250066  1
  Si  Si135  1  0.750020  0.916442  0.583188  1
  Si  Si136  1  0.749924  0.916060  0.916170  1
  Si  Si137  1  0.168309  -0.002324  0.166709  1
  Si  Si138  1  0.167476  -0.002100  0.501662  1
  Si  Si139  1  0.167313  -0.000562  0.832771  1
  Si  Si140  1  0.179484  0.333067  0.166400  1
  Si  Si141  1  0.168178  0.332824  0.501893  1
  Si  Si142  1  0.168305  0.333375  0.831010  1
  Si  Si143  1  0.168175  0.668560  0.166160  1
  Si  Si144  1  0.167069  0.666597  0.499930  1
  Si  Si145  1  0.167475  0.668328  0.831235  1
  Si  Si146  1  0.500161  -0.001066  0.166390  1
  Si  Si147  1  0.500407  -0.000405  0.499912  1
  Si  Si148  1  0.500296  -0.000631  0.832702  1
  Si  Si149  1  0.500163  0.333126  0.166458  1
  Si  Si150  1  0.500140  0.333146  0.500759  1
  Si  Si151  1  0.500160  0.333056  0.832267  1
  Si  Si152  1  0.500140  0.667426  0.166479  1
  Si  Si153  1  0.499897  0.666806  0.500139  1
  Si  Si154  1  0.500407  0.666579  0.832930  1
  Si  Si155  1  0.832221  -0.002278  0.166069  1
  Si  Si156  1  0.833384  -0.000350  0.499988  1
  Si  Si157  1  0.832930  -0.002059  0.831275  1
  Si  Si158  1  0.820557  0.333347  0.166683  1
  Si  Si159  1  0.831983  0.333635  0.502081  1
  Si  Si160  1  0.832220  0.332734  0.831057  1
  Si  Si161  1  0.831985  0.668748  0.166965  1
  Si  Si162  1  0.832674  0.668552  0.501883  1
  Si  Si163  1  0.833384  0.666655  0.832984  1
  Si  Si164  1  0.085816  0.078629  0.080850  1
  Si  Si165  1  0.082959  0.079903  0.419730  1
  Si  Si166  1  0.084017  0.081975  0.748941  1
  Si  Si167  1  0.095592  0.428658  0.071074  1
  Si  Si168  1  0.085626  0.418868  0.421153  1
  Si  Si169  1  0.083842  0.416647  0.749034  1
  Si  Si170  1  0.083775  0.750568  0.082892  1
  Si  Si171  1  0.083848  0.750739  0.417652  1
  Si  Si172  1  0.083632  0.750719  0.748922  1
  Si  Si173  1  0.417728  0.081974  0.082649  1
  Si  Si174  1  0.417274  0.082836  0.416745  1
  Si  Si175  1  0.417099  0.082614  0.749565  1
  Si  Si176  1  0.417632  0.416650  0.082822  1
  Si  Si177  1  0.417662  0.416736  0.417567  1
  Si  Si178  1  0.417693  0.416470  0.748972  1
  Si  Si179  1  0.417744  0.750719  0.083033  1
  Si  Si180  1  0.416901  0.749855  0.416658  1
  Si  Si181  1  0.417108  0.749645  0.749556  1
  Si  Si182  1  0.746937  0.079904  0.083706  1
  Si  Si183  1  0.749998  0.082877  0.416666  1
  Si  Si184  1  0.749924  0.082837  0.749392  1
  Si  Si185  1  0.745515  0.418867  0.081040  1
  Si  Si186  1  0.746696  0.416098  0.419965  1
  Si  Si187  1  0.749100  0.416732  0.749006  1
  Si  Si188  1  0.749015  0.750741  0.082816  1
  Si  Si189  1  0.749723  0.750433  0.416941  1
  Si  Si190  1  0.750021  0.749854  0.749776  1
  Si  Si191  1  0.167230  0.166101  -0.000565  1
  Si  Si192  1  0.176365  0.156965  0.342618  1
  Si  Si193  1  0.167313  0.166020  0.666513  1
  Si  Si194  1  0.176364  0.509282  -0.009701  1
  Si  Si195  1  0.166993  0.500021  0.333354  1
  Si  Si196  1  0.167235  0.500147  0.666308  1
  Si  Si197  1  0.167312  0.833180  -0.000647  1
  Si  Si198  1  0.167236  0.832976  0.333480  1
  Si  Si199  1  0.167442  0.833030  0.666364  1
  Si  Si200  1  0.500154  0.166022  -0.000647  1
  Si  Si201  1  0.500359  0.166097  0.333481  1
  Si  Si202  1  0.500303  0.165890  0.666363  1
  Si  Si203  1  0.500358  0.500147  -0.000570  1
  Si  Si204  1  0.499937  0.500278  0.333609  1
  Si  Si205  1  0.500123  0.500240  0.666539  1
  Si  Si206  1  0.500303  0.833030  -0.000776  1
  Si  Si207  1  0.500126  0.833206  0.333569  1
  Si  Si208  1  0.500265  0.833071  0.666404  1
  Si  Si209  1  0.824055  0.156970  -0.009696  1
  Si  Si210  1  0.833307  0.166337  0.333359  1
  Si  Si211  1  0.833186  0.166097  0.666307  1
  Si  Si212  1  0.833310  0.500023  -0.000330  1
  Si  Si213  1  0.823708  0.509624  0.342957  1
  Si  Si214  1  0.833066  0.500267  0.666735  1
  Si  Si215  1  0.833185  0.832976  -0.000571  1
  Si  Si216  1  0.833064  0.833401  0.333600  1
  Si  Si217  1  0.833101  0.833206  0.666539  1