# 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  0.000134  0.333179  0.166517  1
  Si  Si2  1  0.254368  0.247839  0.081177  1
  Si  Si3  1  0.253259  0.250445  0.419183  1
  Si  Si4  1  0.251037  0.249634  0.748904  1
  Si  Si5  1  0.253250  0.585838  0.083781  1
  Si  Si6  1  0.250009  0.583326  0.416658  1
  Si  Si7  1  0.250303  0.583154  0.749580  1
  Si  Si8  1  0.251047  0.915575  0.082987  1
  Si  Si9  1  0.250326  0.916214  0.416469  1
  Si  Si10  1  0.250011  0.916662  0.749996  1
  Si  Si11  1  0.583259  0.249835  0.083173  1
  Si  Si12  1  0.582631  0.249614  0.417333  1
  Si  Si13  1  0.582918  0.249861  0.748949  1
  Si  Si14  1  0.582636  0.584006  0.082947  1
  Si  Si15  1  0.583324  0.583331  0.416664  1
  Si  Si16  1  0.583344  0.583330  0.749992  1
  Si  Si17  1  0.582938  0.915604  0.083187  1
  Si  Si18  1  0.583344  0.916659  0.416663  1
  Si  Si19  1  0.583342  0.916665  0.750001  1
  Si  Si20  1  0.905136  0.238064  0.071428  1
  Si  Si21  1  0.914917  0.247774  0.420557  1
  Si  Si22  1  0.916844  0.249657  0.748985  1
  Si  Si23  1  0.914915  0.587218  0.081109  1
  Si  Si24  1  0.917645  0.586101  0.419430  1
  Si  Si25  1  0.916604  0.583948  0.749006  1
  Si  Si26  1  0.916862  0.915678  0.082973  1
  Si  Si27  1  0.916596  0.915675  0.417276  1
  Si  Si28  1  0.917093  0.915707  0.749012  1
  Si  Si29  1  0.000049  0.997899  0.998595  1
  Si  Si30  1  0.000389  0.997851  0.334165  1
  Si  Si31  1  0.000300  0.999004  0.666322  1
  Si  Si32  1  0.000200  0.333128  0.987249  1
  Si  Si33  1  0.000194  0.333137  0.345683  1
  Si  Si34  1  0.000137  0.333199  0.666186  1
  Si  Si35  1  0.000450  0.668100  0.998468  1
  Si  Si36  1  0.000121  0.668267  0.334363  1
  Si  Si37  1  0.000136  0.667094  0.666497  1
  Si  Si38  1  0.333433  0.999906  0.999890  1
  Si  Si39  1  0.335276  0.998061  0.333402  1
  Si  Si40  1  0.333417  0.999916  0.666723  1
  Si  Si41  1  0.335435  0.333309  0.998610  1
  Si  Si42  1  0.335484  0.332950  0.334162  1
  Si  Si43  1  0.334316  0.333028  0.666313  1
  Si  Si44  1  0.335181  0.668015  0.999413  1
  Si  Si45  1  0.333554  0.666539  0.333343  1
  Si  Si46  1  0.333447  0.666700  0.666522  1
  Si  Si47  1  0.665299  0.998170  0.999408  1
  Si  Si48  1  0.666795  0.999780  0.333340  1
  Si  Si49  1  0.666633  0.999887  0.666528  1
  Si  Si50  1  0.665224  0.332892  0.998460  1
  Si  Si51  1  0.665067  0.333216  0.334364  1
  Si  Si52  1  0.666218  0.333195  0.666494  1
  Si  Si53  1  0.666651  0.666685  0.999857  1
  Si  Si54  1  0.665134  0.668200  0.333452  1
  Si  Si55  1  0.666690  0.666645  0.666687  1
  Si  Si56  1  0.253242  0.080092  0.249000  1
  Si  Si57  1  0.250142  0.083211  0.583330  1
  Si  Si58  1  0.250008  0.083325  0.916659  1
  Si  Si59  1  0.254299  0.418442  0.251776  1
  Si  Si60  1  0.251185  0.416567  0.583753  1
  Si  Si61  1  0.253228  0.415642  0.913440  1
  Si  Si62  1  0.251186  0.750417  0.249905  1
  Si  Si63  1  0.250014  0.749991  0.583325  1
  Si  Si64  1  0.250096  0.750022  0.916586  1
  Si  Si65  1  0.582910  0.082138  0.249899  1
  Si  Si66  1  0.583343  0.083320  0.583326  1
  Si  Si67  1  0.583312  0.083263  0.916589  1
  Si  Si68  1  0.583311  0.416664  0.249996  1
  Si  Si69  1  0.582646  0.416347  0.584003  1
  Si  Si70  1  0.582870  0.416583  0.915465  1
  Si  Si71  1  0.582654  0.750680  0.249687  1
  Si  Si72  1  0.583342  0.749991  0.583325  1
  Si  Si73  1  0.583342  0.749991  0.916654  1
  Si  Si74  1  0.914893  0.079034  0.251779  1
  Si  Si75  1  0.916760  0.082143  0.583763  1
  Si  Si76  1  0.917694  0.080107  0.913441  1
  Si  Si77  1  0.905100  0.428220  0.261554  1
  Si  Si78  1  0.916670  0.416664  0.583357  1
  Si  Si79  1  0.914892  0.418441  0.912366  1
  Si  Si80  1  0.916670  0.750023  0.249997  1
  Si  Si81  1  0.916981  0.750682  0.584014  1
  Si  Si82  1  0.916751  0.750449  0.915473  1
  Si  Si83  1  0.000208  0.153910  0.166462  1
  Si  Si84  1  0.000458  0.165139  0.501439  1
  Si  Si85  1  0.000023  0.165276  0.831228  1
  Si  Si86  1  0.000192  0.512359  0.166487  1
  Si  Si87  1  0.000116  0.501028  0.501601  1
  Si  Si88  1  0.000386  0.500834  0.831183  1
  Si  Si89  1  0.000123  0.832881  0.166544  1
  Si  Si90  1  0.000129  0.833168  0.500422  1
  Si  Si91  1  0.000270  0.833020  0.832321  1
  Si  Si92  1  0.335434  0.165276  0.166649  1
  Si  Si93  1  0.335204  0.166072  0.501332  1
  Si  Si94  1  0.333431  0.166553  0.833243  1
  Si  Si95  1  0.335483  0.500824  0.166284  1
  Si  Si96  1  0.333545  0.500015  0.499876  1
  Si  Si97  1  0.335250  0.500064  0.831410  1
  Si  Si98  1  0.334330  0.832982  0.166382  1
  Si  Si99  1  0.333448  0.833180  0.500044  1
  Si  Si100  1  0.333412  0.833394  0.833256  1
  Si  Si101  1  0.665247  0.165130  0.166216  1
  Si  Si102  1  0.666647  0.166526  0.500013  1
  Si  Si103  1  0.665307  0.166088  0.831502  1
  Si  Si104  1  0.665068  0.501029  0.166547  1
  Si  Si105  1  0.665133  0.500116  0.501533  1
  Si  Si106  1  0.666785  0.500014  0.833123  1
  Si  Si107  1  0.666240  0.833163  0.166533  1
  Si  Si108  1  0.666688  0.833357  0.499976  1
  Si  Si109  1  0.666635  0.833193  0.833219  1
  Si  Si110  1  0.095272  0.238065  0.261469  1
  Si  Si111  1  0.083563  0.249779  0.583438  1
  Si  Si112  1  0.085491  0.247841  0.912303  1
  Si  Si113  1  0.085564  0.587223  0.251753  1
  Si  Si114  1  0.083725  0.584000  0.584032  1
  Si  Si115  1  0.082887  0.585859  0.913406  1
  Si  Si116  1  0.083687  0.915656  0.249824  1
  Si  Si117  1  0.083490  0.915607  0.583720  1
  Si  Si118  1  0.083697  0.915569  0.915613  1
  Si  Si119  1  0.417675  0.249649  0.249828  1
  Si  Si120  1  0.417731  0.249849  0.583717  1
  Si  Si121  1  0.417757  0.249657  0.915622  1
  Si  Si122  1  0.417663  0.583930  0.250063  1
  Si  Si123  1  0.416675  0.583331  0.583324  1
  Si  Si124  1  0.417097  0.583141  0.916358  1
  Si  Si125  1  0.417648  0.915679  0.249559  1
  Si  Si126  1  0.416671  0.916661  0.583326  1
  Si  Si127  1  0.416670  0.916664  0.916657  1
  Si  Si128  1  0.746106  0.247769  0.251765  1
  Si  Si129  1  0.749323  0.249612  0.584030  1
  Si  Si130  1  0.747478  0.250458  0.913416  1
  Si  Si131  1  0.747234  0.586100  0.249021  1
  Si  Si132  1  0.750002  0.583331  0.583345  1
  Si  Si133  1  0.750007  0.583326  0.916658  1
  Si  Si134  1  0.749395  0.915668  0.250056  1
  Si  Si135  1  0.750004  0.916659  0.583323  1
  Si  Si136  1  0.750177  0.916251  0.916374  1
  Si  Si137  1  0.168063  0.997894  0.166654  1
  Si  Si138  1  0.167273  0.998143  0.501344  1
  Si  Si139  1  0.166781  0.999907  0.833234  1
  Si  Si140  1  0.179418  0.333131  0.166463  1
  Si  Si141  1  0.168199  0.332871  0.501427  1
  Si  Si142  1  0.168058  0.333308  0.831231  1
  Si  Si143  1  0.168206  0.668087  0.166207  1
  Si  Si144  1  0.166809  0.666682  0.500016  1
  Si  Si145  1  0.167265  0.668038  0.831498  1
  Si  Si146  1  0.500333  0.998998  0.166381  1
  Si  Si147  1  0.500154  0.999886  0.500044  1
  Si  Si148  1  0.499941  0.999925  0.833258  1
  Si  Si149  1  0.500445  0.333218  0.166550  1
  Si  Si150  1  0.500155  0.333205  0.500406  1
  Si  Si151  1  0.500295  0.333072  0.832315  1
  Si  Si152  1  0.500170  0.667082  0.166542  1
  Si  Si153  1  0.499977  0.666644  0.499976  1
  Si  Si154  1  0.500147  0.666702  0.833220  1
  Si  Si155  1  0.832510  0.997851  0.166285  1
  Si  Si156  1  0.833317  0.999789  0.499877  1
  Si  Si157  1  0.833268  0.998086  0.831419  1
  Si  Si158  1  0.820946  0.333146  0.166484  1
  Si  Si159  1  0.832302  0.333222  0.501602  1
  Si  Si160  1  0.832498  0.332955  0.831182  1
  Si  Si161  1  0.832305  0.668268  0.166548  1
  Si  Si162  1  0.833219  0.668199  0.501534  1
  Si  Si163  1  0.833319  0.666543  0.833122  1
  Si  Si164  1  0.085505  0.078963  0.081181  1
  Si  Si165  1  0.082889  0.080077  0.419193  1
  Si  Si166  1  0.083696  0.082293  0.748902  1
  Si  Si167  1  0.095243  0.428170  0.071416  1
  Si  Si168  1  0.085558  0.418417  0.420548  1
  Si  Si169  1  0.083685  0.416491  0.748987  1
  Si  Si170  1  0.083512  0.750081  0.083160  1
  Si  Si171  1  0.083722  0.750698  0.417338  1
  Si  Si172  1  0.083477  0.750398  0.748946  1
  Si  Si173  1  0.417760  0.082296  0.082984  1
  Si  Si174  1  0.417127  0.083008  0.416464  1
  Si  Si175  1  0.416671  0.083324  0.749996  1
  Si  Si176  1  0.417663  0.416487  0.082981  1
  Si  Si177  1  0.417659  0.416743  0.417266  1
  Si  Si178  1  0.417616  0.416244  0.748998  1
  Si  Si179  1  0.417732  0.750385  0.083190  1
  Si  Si180  1  0.416674  0.749989  0.416662  1
  Si  Si181  1  0.416672  0.749993  0.749995  1
  Si  Si182  1  0.747479  0.080073  0.083779  1
  Si  Si183  1  0.750007  0.083325  0.416658  1
  Si  Si184  1  0.750177  0.083040  0.749586  1
  Si  Si185  1  0.746101  0.418422  0.081100  1
  Si  Si186  1  0.747237  0.415702  0.419425  1
  Si  Si187  1  0.749368  0.416718  0.749005  1
  Si  Si188  1  0.749330  0.750700  0.082947  1
  Si  Si189  1  0.750002  0.750010  0.416662  1
  Si  Si190  1  0.750003  0.749990  0.749993  1
  Si  Si191  1  0.166771  0.166563  0.999896  1
  Si  Si192  1  0.175912  0.157420  0.341945  1
  Si  Si193  1  0.166967  0.166370  0.666421  1
  Si  Si194  1  0.175904  0.508600  0.990750  1
  Si  Si195  1  0.166920  0.499917  0.333248  1
  Si  Si196  1  0.167230  0.499953  0.666305  1
  Si  Si197  1  0.166915  0.833109  0.999760  1
  Si  Si198  1  0.167226  0.832959  0.333283  1
  Si  Si199  1  0.166969  0.833261  0.666595  1
  Si  Si200  1  0.500220  0.166444  0.999768  1
  Si  Si201  1  0.500376  0.166106  0.333278  1
  Si  Si202  1  0.500069  0.166365  0.666594  1
  Si  Si203  1  0.500351  0.499953  0.999458  1
  Si  Si204  1  0.500243  0.500050  0.333377  1
  Si  Si205  1  0.500099  0.500104  0.666567  1
  Si  Si206  1  0.500070  0.833260  0.999700  1
  Si  Si207  1  0.500101  0.833234  0.333436  1
  Si  Si208  1  0.500039  0.833294  0.666629  1
  Si  Si209  1  0.824709  0.157414  0.990748  1
  Si  Si210  1  0.833417  0.166418  0.333256  1
  Si  Si211  1  0.833379  0.166112  0.666308  1
  Si  Si212  1  0.833414  0.499918  0.999750  1
  Si  Si213  1  0.824503  0.508844  0.342161  1
  Si  Si214  1  0.833283  0.500044  0.666447  1
  Si  Si215  1  0.833385  0.832989  0.999461  1
  Si  Si216  1  0.833283  0.833101  0.333381  1
  Si  Si217  1  0.833228  0.833240  0.666571  1
