# 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  0.083337  0.250000  0.083337  1
  Si  Si2  1  0.262635  0.250000  0.083334  1
  Si  Si3  1  0.251245  0.250210  0.418511  1
  Si  Si4  1  0.251246  0.249790  0.748156  1
  Si  Si5  1  0.251245  0.585177  0.083543  1
  Si  Si6  1  0.250410  0.585004  0.418337  1
  Si  Si7  1  0.250115  0.583441  0.749895  1
  Si  Si8  1  0.251245  0.914822  0.083124  1
  Si  Si9  1  0.250117  0.916561  0.416772  1
  Si  Si10  1  0.250409  0.914997  0.748330  1
  Si  Si11  1  0.583339  0.249994  0.083350  1
  Si  Si12  1  0.583333  0.250001  0.417470  1
  Si  Si13  1  0.583333  0.249999  0.749197  1
  Si  Si14  1  0.583333  0.584135  0.083333  1
  Si  Si15  1  0.583502  0.583468  0.416799  1
  Si  Si16  1  0.583165  0.583469  0.749866  1
  Si  Si17  1  0.583333  0.915865  0.083332  1
  Si  Si18  1  0.583166  0.916532  0.416800  1
  Si  Si19  1  0.583505  0.916534  0.749872  1
  Si  Si20  1  0.904029  0.250000  0.083334  1
  Si  Si21  1  0.915421  0.249790  0.418511  1
  Si  Si22  1  0.915421  0.250210  0.748156  1
  Si  Si23  1  0.915422  0.585178  0.083123  1
  Si  Si24  1  0.916547  0.583438  0.416771  1
  Si  Si25  1  0.916257  0.585003  0.748330  1
  Si  Si26  1  0.915422  0.914823  0.083544  1
  Si  Si27  1  0.916257  0.914996  0.418337  1
  Si  Si28  1  0.916550  0.916561  0.749894  1
  Si  Si29  1  0.997997  0.995812  0.997997  1
  Si  Si30  1  0.000676  0.997074  0.336259  1
  Si  Si31  1  0.999823  0.999096  0.665831  1
  Si  Si32  1  0.988324  0.345009  0.988324  1
  Si  Si33  1  0.997997  0.335336  0.337522  1
  Si  Si34  1  0.999859  0.333476  0.666125  1
  Si  Si35  1  0.999858  0.667209  0.999858  1
  Si  Si36  1  0.999822  0.667502  0.334238  1
  Si  Si37  1  0.000006  0.667462  0.665870  1
  Si  Si38  1  0.336259  0.997074  0.000676  1
  Si  Si39  1  0.333397  0.999935  0.333397  1
  Si  Si40  1  0.333500  0.999831  0.666386  1
  Si  Si41  1  0.337522  0.335336  0.997997  1
  Si  Si42  1  0.336259  0.332658  0.336259  1
  Si  Si43  1  0.334239  0.333512  0.665832  1
  Si  Si44  1  0.334238  0.667502  0.999822  1
  Si  Si45  1  0.333500  0.666946  0.333500  1
  Si  Si46  1  0.333398  0.666645  0.666687  1
  Si  Si47  1  0.665831  0.999096  0.999823  1
  Si  Si48  1  0.666386  0.999832  0.333500  1
  Si  Si49  1  0.666688  0.999926  0.666688  1
  Si  Si50  1  0.666125  0.333476  0.999859  1
  Si  Si51  1  0.665832  0.333512  0.334239  1
  Si  Si52  1  0.665870  0.333328  0.665870  1
  Si  Si53  1  0.665870  0.667462  0.000006  1
  Si  Si54  1  0.666687  0.666645  0.333398  1
  Si  Si55  1  0.666649  0.666685  0.666649  1
  Si  Si56  1  0.250125  0.083209  0.250125  1
  Si  Si57  1  0.250294  0.083040  0.583306  1
  Si  Si58  1  0.258902  0.074431  0.907765  1
  Si  Si59  1  0.258904  0.425571  0.258904  1
  Si  Si60  1  0.250294  0.416960  0.583361  1
  Si  Si61  1  0.250125  0.416791  0.916542  1
  Si  Si62  1  0.250293  0.750027  0.250293  1
  Si  Si63  1  0.250396  0.750002  0.583332  1
  Si  Si64  1  0.250293  0.749973  0.916373  1
  Si  Si65  1  0.583306  0.083040  0.250294  1
  Si  Si66  1  0.583333  0.082931  0.583333  1
  Si  Si67  1  0.583361  0.083040  0.916373  1
  Si  Si68  1  0.583361  0.416960  0.250294  1
  Si  Si69  1  0.583334  0.417069  0.583334  1
  Si  Si70  1  0.583306  0.416959  0.916374  1
  Si  Si71  1  0.583331  0.750002  0.250396  1
  Si  Si72  1  0.583333  0.750000  0.583333  1
  Si  Si73  1  0.583331  0.749998  0.916269  1
  Si  Si74  1  0.907765  0.074431  0.258902  1
  Si  Si75  1  0.916373  0.083040  0.583361  1
  Si  Si76  1  0.916542  0.083209  0.916542  1
  Si  Si77  1  0.916542  0.416791  0.250125  1
  Si  Si78  1  0.916374  0.416959  0.583306  1
  Si  Si79  1  0.907766  0.425568  0.907766  1
  Si  Si80  1  0.916373  0.749973  0.250293  1
  Si  Si81  1  0.916269  0.749998  0.583331  1
  Si  Si82  1  0.916373  0.750028  0.916373  1
  Si  Si83  1  0.988327  0.154994  0.178339  1
  Si  Si84  1  0.999858  0.166525  0.500542  1
  Si  Si85  1  0.997997  0.164664  0.829146  1
  Si  Si86  1  0.997997  0.504188  0.168670  1
  Si  Si87  1  0.999822  0.500905  0.500835  1
  Si  Si88  1  0.000676  0.502926  0.830408  1
  Si  Si89  1  0.999858  0.832792  0.166809  1
  Si  Si90  1  0.000006  0.832537  0.500796  1
  Si  Si91  1  0.999823  0.832498  0.832429  1
  Si  Si92  1  0.337521  0.164663  0.168670  1
  Si  Si93  1  0.334239  0.166488  0.500835  1
  Si  Si94  1  0.336259  0.167342  0.830408  1
  Si  Si95  1  0.336259  0.502925  0.165991  1
  Si  Si96  1  0.333500  0.500167  0.500280  1
  Si  Si97  1  0.333397  0.500066  0.833269  1
  Si  Si98  1  0.334238  0.832498  0.166844  1
  Si  Si99  1  0.333402  0.833356  0.499976  1
  Si  Si100  1  0.333499  0.833054  0.833167  1
  Si  Si101  1  0.666125  0.166525  0.166809  1
  Si  Si102  1  0.665869  0.166671  0.500797  1
  Si  Si103  1  0.665832  0.166488  0.832427  1
  Si  Si104  1  0.665831  0.500904  0.166844  1
  Si  Si105  1  0.666689  0.500072  0.499978  1
  Si  Si106  1  0.666386  0.500169  0.833167  1
  Si  Si107  1  0.665871  0.832538  0.166657  1
  Si  Si108  1  0.666650  0.833315  0.500017  1
  Si  Si109  1  0.666689  0.833354  0.833268  1
  Si  Si110  1  0.083334  0.250000  0.262635  1
  Si  Si111  1  0.083350  0.249994  0.583339  1
  Si  Si112  1  0.083334  0.250000  0.904029  1
  Si  Si113  1  0.083543  0.585177  0.251245  1
  Si  Si114  1  0.083333  0.584135  0.583333  1
  Si  Si115  1  0.083123  0.585178  0.915422  1
  Si  Si116  1  0.083124  0.914823  0.251245  1
  Si  Si117  1  0.083332  0.915865  0.583333  1
  Si  Si118  1  0.083544  0.914823  0.915422  1
  Si  Si119  1  0.418511  0.250210  0.251245  1
  Si  Si120  1  0.417470  0.250001  0.583333  1
  Si  Si121  1  0.418511  0.249790  0.915421  1
  Si  Si122  1  0.418337  0.585004  0.250410  1
  Si  Si123  1  0.416799  0.583468  0.583502  1
  Si  Si124  1  0.416771  0.583438  0.916547  1
  Si  Si125  1  0.416772  0.916561  0.250117  1
  Si  Si126  1  0.416800  0.916531  0.583165  1
  Si  Si127  1  0.418337  0.914996  0.916257  1
  Si  Si128  1  0.748156  0.249790  0.251246  1
  Si  Si129  1  0.749197  0.249999  0.583333  1
  Si  Si130  1  0.748156  0.250210  0.915421  1
  Si  Si131  1  0.749895  0.583441  0.250115  1
  Si  Si132  1  0.749866  0.583469  0.583165  1
  Si  Si133  1  0.748330  0.585003  0.916257  1
  Si  Si134  1  0.748330  0.914997  0.250409  1
  Si  Si135  1  0.749872  0.916534  0.583505  1
  Si  Si136  1  0.749894  0.916561  0.916550  1
  Si  Si137  1  0.168670  0.995812  0.168670  1
  Si  Si138  1  0.166844  0.999095  0.500835  1
  Si  Si139  1  0.165991  0.997075  0.830408  1
  Si  Si140  1  0.178336  0.345003  0.178336  1
  Si  Si141  1  0.166809  0.333475  0.500542  1
  Si  Si142  1  0.168670  0.335336  0.829146  1
  Si  Si143  1  0.166809  0.667208  0.166809  1
  Si  Si144  1  0.166659  0.667463  0.500795  1
  Si  Si145  1  0.166843  0.667502  0.832429  1
  Si  Si146  1  0.500835  0.999095  0.166844  1
  Si  Si147  1  0.499977  0.999928  0.499978  1
  Si  Si148  1  0.500280  0.999832  0.833167  1
  Si  Si149  1  0.500542  0.333475  0.166809  1
  Si  Si150  1  0.500798  0.333330  0.500798  1
  Si  Si151  1  0.500835  0.333512  0.832427  1
  Si  Si152  1  0.500795  0.667463  0.166659  1
  Si  Si153  1  0.500017  0.666684  0.500017  1
  Si  Si154  1  0.499974  0.666645  0.833263  1
  Si  Si155  1  0.830408  0.997075  0.165991  1
  Si  Si156  1  0.833167  0.999832  0.500280  1
  Si  Si157  1  0.833269  0.999935  0.833269  1
  Si  Si158  1  0.829146  0.335336  0.168670  1
  Si  Si159  1  0.832427  0.333512  0.500835  1
  Si  Si160  1  0.830408  0.332659  0.830408  1
  Si  Si161  1  0.832429  0.667502  0.166843  1
  Si  Si162  1  0.833263  0.666645  0.499974  1
  Si  Si163  1  0.833167  0.666946  0.833167  1
  Si  Si164  1  0.083334  0.070697  0.083334  1
  Si  Si165  1  0.083123  0.082089  0.418511  1
  Si  Si166  1  0.083543  0.082089  0.748156  1
  Si  Si167  1  0.083334  0.429303  0.083334  1
  Si  Si168  1  0.083543  0.417912  0.418511  1
  Si  Si169  1  0.083124  0.417912  0.748157  1
  Si  Si170  1  0.083334  0.750000  0.083334  1
  Si  Si171  1  0.083332  0.750000  0.417468  1
  Si  Si172  1  0.083332  0.750000  0.749197  1
  Si  Si173  1  0.418511  0.082089  0.083123  1
  Si  Si174  1  0.416772  0.083211  0.416772  1
  Si  Si175  1  0.418337  0.082923  0.748329  1
  Si  Si176  1  0.418511  0.417912  0.083543  1
  Si  Si177  1  0.418338  0.417077  0.418338  1
  Si  Si178  1  0.416772  0.416789  0.749894  1
  Si  Si179  1  0.417468  0.750000  0.083332  1
  Si  Si180  1  0.416796  0.750170  0.416796  1
  Si  Si181  1  0.416793  0.749830  0.749868  1
  Si  Si182  1  0.748156  0.082089  0.083543  1
  Si  Si183  1  0.748329  0.082923  0.418337  1
  Si  Si184  1  0.749893  0.083211  0.749893  1
  Si  Si185  1  0.748157  0.417912  0.083124  1
  Si  Si186  1  0.749894  0.416789  0.416772  1
  Si  Si187  1  0.748330  0.417078  0.748330  1
  Si  Si188  1  0.749197  0.750000  0.083332  1
  Si  Si189  1  0.749868  0.749830  0.416793  1
  Si  Si190  1  0.749871  0.750170  0.749871  1
  Si  Si191  1  0.178339  0.154994  0.988327  1
  Si  Si192  1  0.168670  0.164663  0.337521  1
  Si  Si193  1  0.166810  0.166525  0.666125  1
  Si  Si194  1  0.168670  0.504188  0.997997  1
  Si  Si195  1  0.165991  0.502925  0.336259  1
  Si  Si196  1  0.166844  0.500904  0.665831  1
  Si  Si197  1  0.166809  0.832792  0.999858  1
  Si  Si198  1  0.166844  0.832498  0.334238  1
  Si  Si199  1  0.166657  0.832538  0.665871  1
  Si  Si200  1  0.500542  0.166525  0.999858  1
  Si  Si201  1  0.500835  0.166488  0.334239  1
  Si  Si202  1  0.500797  0.166671  0.665869  1
  Si  Si203  1  0.500835  0.500905  0.999822  1
  Si  Si204  1  0.500280  0.500167  0.333500  1
  Si  Si205  1  0.499978  0.500072  0.666689  1
  Si  Si206  1  0.500796  0.832537  0.000006  1
  Si  Si207  1  0.499976  0.833356  0.333402  1
  Si  Si208  1  0.500017  0.833315  0.666650  1
  Si  Si209  1  0.829146  0.164664  0.997997  1
  Si  Si210  1  0.830408  0.167342  0.336259  1
  Si  Si211  1  0.832427  0.166488  0.665832  1
  Si  Si212  1  0.830408  0.502926  0.000676  1
  Si  Si213  1  0.833269  0.500066  0.333397  1
  Si  Si214  1  0.833167  0.500169  0.666386  1
  Si  Si215  1  0.832429  0.832498  0.999823  1
  Si  Si216  1  0.833167  0.833054  0.333499  1
  Si  Si217  1  0.833268  0.833354  0.666689  1
