# generated using pymatgen
data_BaSi215
_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   BaSi215
_chemical_formula_sum   'Ba1 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
  Ba  Ba1  1  0.250000  0.250000  0.083332  1
  Si  Si2  1  0.250000  0.250000  0.417548  1
  Si  Si3  1  0.250000  0.250000  0.749119  1
  Si  Si4  1  0.250000  0.584214  0.083333  1
  Si  Si5  1  0.250056  0.585250  0.418583  1
  Si  Si6  1  0.249944  0.585250  0.748084  1
  Si  Si7  1  0.250000  0.915786  0.083333  1
  Si  Si8  1  0.249944  0.914750  0.418583  1
  Si  Si9  1  0.250056  0.914751  0.748084  1
  Si  Si10  1  0.584214  0.250000  0.083333  1
  Si  Si11  1  0.585250  0.250056  0.418583  1
  Si  Si12  1  0.585249  0.249944  0.748084  1
  Si  Si13  1  0.585250  0.585250  0.083391  1
  Si  Si14  1  0.583240  0.583240  0.416574  1
  Si  Si15  1  0.582979  0.582979  0.750355  1
  Si  Si16  1  0.585249  0.914751  0.083279  1
  Si  Si17  1  0.582979  0.917021  0.416313  1
  Si  Si18  1  0.583240  0.916760  0.750093  1
  Si  Si19  1  0.915786  0.250000  0.083333  1
  Si  Si20  1  0.914750  0.249944  0.418583  1
  Si  Si21  1  0.914750  0.250056  0.748084  1
  Si  Si22  1  0.914751  0.585249  0.083279  1
  Si  Si23  1  0.917021  0.582979  0.416313  1
  Si  Si24  1  0.916760  0.583240  0.750093  1
  Si  Si25  1  0.914750  0.914750  0.083391  1
  Si  Si26  1  0.916760  0.916760  0.416574  1
  Si  Si27  1  0.917021  0.917021  0.750355  1
  Si  Si28  1  -0.001641  -0.001641  0.001367  1
  Si  Si29  1  0.000171  0.000171  0.333162  1
  Si  Si30  1  0.000433  0.000433  0.667505  1
  Si  Si31  1  -0.001151  0.333140  0.000194  1
  Si  Si32  1  -0.001641  0.331966  0.334974  1
  Si  Si33  1  -0.000501  0.333329  0.666323  1
  Si  Si34  1  -0.000501  0.667011  0.000005  1
  Si  Si35  1  0.000433  0.665829  0.332900  1
  Si  Si36  1  0.000163  0.666592  0.666742  1
  Si  Si37  1  0.333140  -0.001151  0.000194  1
  Si  Si38  1  0.331966  -0.001641  0.334974  1
  Si  Si39  1  0.333329  -0.000501  0.666323  1
  Si  Si40  1  0.360886  0.360886  -0.027552  1
  Si  Si41  1  0.333140  0.333140  0.334485  1
  Si  Si42  1  0.333570  0.333571  0.666446  1
  Si  Si43  1  0.333570  0.666887  -0.000237  1
  Si  Si44  1  0.333329  0.667011  0.333834  1
  Si  Si45  1  0.333469  0.667558  0.665776  1
  Si  Si46  1  0.667011  -0.000501  0.000005  1
  Si  Si47  1  0.665829  0.000433  0.332900  1
  Si  Si48  1  0.666592  0.000163  0.666742  1
  Si  Si49  1  0.666887  0.333571  -0.000237  1
  Si  Si50  1  0.667011  0.333329  0.333834  1
  Si  Si51  1  0.667558  0.333470  0.665777  1
  Si  Si52  1  0.667547  0.667547  -0.000150  1
  Si  Si53  1  0.666592  0.666592  0.333171  1
  Si  Si54  1  0.666508  0.666508  0.666825  1
  Si  Si55  1  0.247845  0.080103  0.253231  1
  Si  Si56  1  0.250000  0.083154  0.583334  1
  Si  Si57  1  0.252156  0.080103  0.913437  1
  Si  Si58  1  0.252155  0.419897  0.253231  1
  Si  Si59  1  0.250000  0.416847  0.583334  1
  Si  Si60  1  0.247844  0.419897  0.913437  1
  Si  Si61  1  0.250000  0.750000  0.250180  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916487  1
  Si  Si64  1  0.582223  0.083705  0.249629  1
  Si  Si65  1  0.583203  0.083122  0.582965  1
  Si  Si66  1  0.583904  0.083166  0.916499  1
  Si  Si67  1  0.583904  0.416834  0.250168  1
  Si  Si68  1  0.583203  0.416878  0.583702  1
  Si  Si69  1  0.582223  0.416296  0.917038  1
  Si  Si70  1  0.583204  0.750368  0.250211  1
  Si  Si71  1  0.583146  0.750000  0.583334  1
  Si  Si72  1  0.583203  0.749631  0.916455  1
  Si  Si73  1  0.916096  0.083166  0.250168  1
  Si  Si74  1  0.916797  0.083122  0.583702  1
  Si  Si75  1  0.917777  0.083705  0.917038  1
  Si  Si76  1  0.917777  0.416296  0.249629  1
  Si  Si77  1  0.916797  0.416878  0.582965  1
  Si  Si78  1  0.916096  0.416834  0.916499  1
  Si  Si79  1  0.916796  0.749632  0.250211  1
  Si  Si80  1  0.916854  0.750000  0.583334  1
  Si  Si81  1  0.916797  0.750369  0.916455  1
  Si  Si82  1  -0.001151  0.166860  0.166474  1
  Si  Si83  1  -0.000501  0.166671  0.500345  1
  Si  Si84  1  -0.001641  0.168034  0.831693  1
  Si  Si85  1  -0.001641  0.501641  0.165298  1
  Si  Si86  1  0.000433  0.499567  0.499163  1
  Si  Si87  1  0.000171  0.499829  0.833505  1
  Si  Si88  1  -0.000501  0.832989  0.166663  1
  Si  Si89  1  0.000162  0.833408  0.499925  1
  Si  Si90  1  0.000433  0.834171  0.833766  1
  Si  Si91  1  0.360885  0.139115  0.194219  1
  Si  Si92  1  0.333570  0.166430  0.500221  1
  Si  Si93  1  0.333140  0.166860  0.832182  1
  Si  Si94  1  0.333140  0.501152  0.166474  1
  Si  Si95  1  0.333329  0.500501  0.500345  1
  Si  Si96  1  0.331966  0.501641  0.831693  1
  Si  Si97  1  0.333570  0.833113  0.166904  1
  Si  Si98  1  0.333469  0.832442  0.500891  1
  Si  Si99  1  0.333329  0.832990  0.832833  1
  Si  Si100  1  0.666887  0.166430  0.166904  1
  Si  Si101  1  0.667558  0.166532  0.500892  1
  Si  Si102  1  0.667010  0.166671  0.832833  1
  Si  Si103  1  0.667011  0.500501  0.166663  1
  Si  Si104  1  0.666592  0.499838  0.499925  1
  Si  Si105  1  0.665829  0.499567  0.833766  1
  Si  Si106  1  0.667568  0.832432  0.166787  1
  Si  Si107  1  0.666508  0.833492  0.499841  1
  Si  Si108  1  0.666592  0.833408  0.833496  1
  Si  Si109  1  0.080103  0.247845  0.253231  1
  Si  Si110  1  0.083154  0.250000  0.583334  1
  Si  Si111  1  0.080103  0.252156  0.913437  1
  Si  Si112  1  0.083704  0.582223  0.249629  1
  Si  Si113  1  0.083122  0.583203  0.582966  1
  Si  Si114  1  0.083166  0.583904  0.916499  1
  Si  Si115  1  0.083166  0.916096  0.250168  1
  Si  Si116  1  0.083122  0.916797  0.583702  1
  Si  Si117  1  0.083705  0.917777  0.917038  1
  Si  Si118  1  0.419897  0.252156  0.253231  1
  Si  Si119  1  0.416846  0.250000  0.583334  1
  Si  Si120  1  0.419897  0.247844  0.913437  1
  Si  Si121  1  0.416834  0.583904  0.250168  1
  Si  Si122  1  0.416878  0.583203  0.583702  1
  Si  Si123  1  0.416295  0.582223  0.917038  1
  Si  Si124  1  0.416296  0.917777  0.249629  1
  Si  Si125  1  0.416878  0.916797  0.582966  1
  Si  Si126  1  0.416834  0.916096  0.916499  1
  Si  Si127  1  0.750000  0.250000  0.250180  1
  Si  Si128  1  0.750006  0.249981  0.583387  1
  Si  Si129  1  0.750000  0.250000  0.916487  1
  Si  Si130  1  0.750368  0.583204  0.250211  1
  Si  Si131  1  0.750000  0.583146  0.583334  1
  Si  Si132  1  0.749631  0.583203  0.916455  1
  Si  Si133  1  0.749632  0.916796  0.250211  1
  Si  Si134  1  0.750000  0.916854  0.583334  1
  Si  Si135  1  0.750369  0.916798  0.916455  1
  Si  Si136  1  0.166860  -0.001151  0.166474  1
  Si  Si137  1  0.166671  -0.000501  0.500345  1
  Si  Si138  1  0.168034  -0.001641  0.831693  1
  Si  Si139  1  0.139115  0.360885  0.194219  1
  Si  Si140  1  0.166430  0.333571  0.500221  1
  Si  Si141  1  0.166860  0.333140  0.832182  1
  Si  Si142  1  0.166430  0.666887  0.166904  1
  Si  Si143  1  0.166531  0.667558  0.500891  1
  Si  Si144  1  0.166671  0.667011  0.832833  1
  Si  Si145  1  0.501641  -0.001641  0.165298  1
  Si  Si146  1  0.499567  0.000433  0.499163  1
  Si  Si147  1  0.499829  0.000171  0.833505  1
  Si  Si148  1  0.501151  0.333140  0.166474  1
  Si  Si149  1  0.500501  0.333329  0.500345  1
  Si  Si150  1  0.501641  0.331966  0.831693  1
  Si  Si151  1  0.500501  0.667011  0.166663  1
  Si  Si152  1  0.499838  0.666592  0.499925  1
  Si  Si153  1  0.499567  0.665829  0.833766  1
  Si  Si154  1  0.832989  -0.000501  0.166663  1
  Si  Si155  1  0.833408  0.000162  0.499925  1
  Si  Si156  1  0.834171  0.000433  0.833766  1
  Si  Si157  1  0.833113  0.333571  0.166904  1
  Si  Si158  1  0.832441  0.333468  0.500893  1
  Si  Si159  1  0.832990  0.333329  0.832833  1
  Si  Si160  1  0.832432  0.667568  0.166787  1
  Si  Si161  1  0.833492  0.666508  0.499841  1
  Si  Si162  1  0.833408  0.666592  0.833496  1
  Si  Si163  1  0.080103  0.080103  0.085490  1
  Si  Si164  1  0.083166  0.083166  0.417238  1
  Si  Si165  1  0.083705  0.083705  0.751110  1
  Si  Si166  1  0.080103  0.419897  0.081178  1
  Si  Si167  1  0.083704  0.416296  0.415557  1
  Si  Si168  1  0.083166  0.416834  0.749429  1
  Si  Si169  1  0.083153  0.750000  0.083333  1
  Si  Si170  1  0.083122  0.749632  0.416537  1
  Si  Si171  1  0.083122  0.750368  0.750130  1
  Si  Si172  1  0.419897  0.080103  0.081178  1
  Si  Si173  1  0.416296  0.083705  0.415557  1
  Si  Si174  1  0.416834  0.083166  0.749429  1
  Si  Si175  1  0.419897  0.419897  0.085490  1
  Si  Si176  1  0.416834  0.416834  0.417238  1
  Si  Si177  1  0.416295  0.416296  0.751110  1
  Si  Si178  1  0.416847  0.750000  0.083333  1
  Si  Si179  1  0.416878  0.750368  0.416537  1
  Si  Si180  1  0.416878  0.749632  0.750130  1
  Si  Si181  1  0.750000  0.083154  0.083333  1
  Si  Si182  1  0.749632  0.083122  0.416537  1
  Si  Si183  1  0.750368  0.083122  0.750130  1
  Si  Si184  1  0.750000  0.416847  0.083333  1
  Si  Si185  1  0.750368  0.416878  0.416537  1
  Si  Si186  1  0.749632  0.416878  0.750130  1
  Si  Si187  1  0.750000  0.750000  0.083279  1
  Si  Si188  1  0.750000  0.750000  0.416480  1
  Si  Si189  1  0.750000  0.750000  0.750187  1
  Si  Si190  1  0.139114  0.139114  -0.027552  1
  Si  Si191  1  0.166860  0.166860  0.334485  1
  Si  Si192  1  0.166430  0.166430  0.666446  1
  Si  Si193  1  0.166860  0.501151  0.000194  1
  Si  Si194  1  0.168034  0.501641  0.334974  1
  Si  Si195  1  0.166671  0.500501  0.666323  1
  Si  Si196  1  0.166430  0.833113  -0.000237  1
  Si  Si197  1  0.166671  0.832989  0.333834  1
  Si  Si198  1  0.166531  0.832442  0.665776  1
  Si  Si199  1  0.501151  0.166860  0.000194  1
  Si  Si200  1  0.501641  0.168034  0.334974  1
  Si  Si201  1  0.500501  0.166671  0.666323  1
  Si  Si202  1  0.501641  0.501641  0.001367  1
  Si  Si203  1  0.499829  0.499829  0.333162  1
  Si  Si204  1  0.499567  0.499567  0.667505  1
  Si  Si205  1  0.500501  0.832989  0.000005  1
  Si  Si206  1  0.499567  0.834171  0.332900  1
  Si  Si207  1  0.499837  0.833408  0.666742  1
  Si  Si208  1  0.833113  0.166430  -0.000237  1
  Si  Si209  1  0.832989  0.166671  0.333834  1
  Si  Si210  1  0.832443  0.166529  0.665778  1
  Si  Si211  1  0.832989  0.500501  0.000005  1
  Si  Si212  1  0.834171  0.499567  0.332900  1
  Si  Si213  1  0.833408  0.499837  0.666742  1
  Si  Si214  1  0.832453  0.832453  -0.000150  1
  Si  Si215  1  0.833408  0.833408  0.333171  1
  Si  Si216  1  0.833492  0.833492  0.666825  1
