# 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  0.083324  0.249996  0.083324  1
  Si  Si2  1  0.262694  0.250011  0.083330  1
  Si  Si3  1  0.251297  0.250267  0.418654  1
  Si  Si4  1  0.251298  0.249733  0.748013  1
  Si  Si5  1  0.251298  0.585319  0.083600  1
  Si  Si6  1  0.250534  0.585117  0.418451  1
  Si  Si7  1  0.250178  0.583501  0.749831  1
  Si  Si8  1  0.251297  0.914678  0.083066  1
  Si  Si9  1  0.250179  0.916497  0.416836  1
  Si  Si10  1  0.250534  0.914881  0.748216  1
  Si  Si11  1  0.583331  0.249941  0.083348  1
  Si  Si12  1  0.583333  0.250000  0.417524  1
  Si  Si13  1  0.583334  0.249999  0.749142  1
  Si  Si14  1  0.583334  0.584190  0.083333  1
  Si  Si15  1  0.583488  0.583556  0.416889  1
  Si  Si16  1  0.583172  0.583548  0.749783  1
  Si  Si17  1  0.583333  0.915808  0.083333  1
  Si  Si18  1  0.583174  0.916448  0.416885  1
  Si  Si19  1  0.583491  0.916452  0.749786  1
  Si  Si20  1  0.903962  0.250002  0.083334  1
  Si  Si21  1  0.915368  0.249733  0.418655  1
  Si  Si22  1  0.915369  0.250266  0.748013  1
  Si  Si23  1  0.915368  0.585320  0.083067  1
  Si  Si24  1  0.916488  0.583502  0.416836  1
  Si  Si25  1  0.916132  0.585115  0.748218  1
  Si  Si26  1  0.915369  0.914678  0.083601  1
  Si  Si27  1  0.916133  0.914881  0.418451  1
  Si  Si28  1  0.916488  0.916496  0.749831  1
  Si  Si29  1  -0.002121  -0.004353  -0.002121  1
  Si  Si30  1  0.000620  -0.003116  0.336447  1
  Si  Si31  1  -0.000249  -0.001027  0.665814  1
  Si  Si32  1  -0.011943  0.345281  -0.011944  1
  Si  Si33  1  -0.002124  0.335455  0.337691  1
  Si  Si34  1  -0.000206  0.333538  0.665967  1
  Si  Si35  1  -0.000212  0.667361  -0.000212  1
  Si  Si36  1  -0.000249  0.667519  0.334359  1
  Si  Si37  1  -0.000037  0.667508  0.665825  1
  Si  Si38  1  0.336447  -0.003116  0.000620  1
  Si  Si39  1  0.333512  -0.000179  0.333512  1
  Si  Si40  1  0.333614  -0.000281  0.666303  1
  Si  Si41  1  0.337691  0.335455  -0.002124  1
  Si  Si42  1  0.336442  0.332710  0.336442  1
  Si  Si43  1  0.334359  0.333582  0.665814  1
  Si  Si44  1  0.334359  0.667519  -0.000249  1
  Si  Si45  1  0.333615  0.667030  0.333615  1
  Si  Si46  1  0.333538  0.666691  0.666638  1
  Si  Si47  1  0.665814  -0.001027  -0.000249  1
  Si  Si48  1  0.666303  -0.000281  0.333614  1
  Si  Si49  1  0.666639  -0.000205  0.666639  1
  Si  Si50  1  0.665967  0.333538  -0.000206  1
  Si  Si51  1  0.665814  0.333582  0.334359  1
  Si  Si52  1  0.665824  0.333369  0.665824  1
  Si  Si53  1  0.665825  0.667508  -0.000037  1
  Si  Si54  1  0.666638  0.666691  0.333538  1
  Si  Si55  1  0.666610  0.666727  0.666610  1
  Si  Si56  1  0.250201  0.083132  0.250201  1
  Si  Si57  1  0.250364  0.082968  0.583232  1
  Si  Si58  1  0.259258  0.074078  0.907408  1
  Si  Si59  1  0.259247  0.425922  0.259247  1
  Si  Si60  1  0.250364  0.417030  0.583435  1
  Si  Si61  1  0.250202  0.416868  0.916465  1
  Si  Si62  1  0.250364  0.750101  0.250364  1
  Si  Si63  1  0.250453  0.750000  0.583333  1
  Si  Si64  1  0.250364  0.749898  0.916303  1
  Si  Si65  1  0.583232  0.082968  0.250364  1
  Si  Si66  1  0.583333  0.082880  0.583333  1
  Si  Si67  1  0.583434  0.082969  0.916304  1
  Si  Si68  1  0.583435  0.417030  0.250364  1
  Si  Si69  1  0.583334  0.417119  0.583334  1
  Si  Si70  1  0.583232  0.417029  0.916304  1
  Si  Si71  1  0.583333  0.750000  0.250453  1
  Si  Si72  1  0.583381  0.750036  0.583381  1
  Si  Si73  1  0.583334  0.749999  0.916213  1
  Si  Si74  1  0.907408  0.074078  0.259258  1
  Si  Si75  1  0.916304  0.082969  0.583434  1
  Si  Si76  1  0.916465  0.083131  0.916465  1
  Si  Si77  1  0.916465  0.416868  0.250202  1
  Si  Si78  1  0.916304  0.417029  0.583232  1
  Si  Si79  1  0.907407  0.425926  0.907407  1
  Si  Si80  1  0.916303  0.749898  0.250364  1
  Si  Si81  1  0.916213  0.749999  0.583334  1
  Si  Si82  1  0.916304  0.750101  0.916304  1
  Si  Si83  1  -0.011993  0.154755  0.178633  1
  Si  Si84  1  -0.000215  0.166449  0.500692  1
  Si  Si85  1  -0.002122  0.164543  0.828979  1
  Si  Si86  1  -0.002125  0.504356  0.168791  1
  Si  Si87  1  -0.000249  0.501026  0.500853  1
  Si  Si88  1  0.000620  0.503112  0.830221  1
  Si  Si89  1  -0.000212  0.832637  0.166879  1
  Si  Si90  1  -0.000037  0.832489  0.500843  1
  Si  Si91  1  -0.000249  0.832481  0.832308  1
  Si  Si92  1  0.337683  0.164547  0.168787  1
  Si  Si93  1  0.334359  0.166417  0.500852  1
  Si  Si94  1  0.336449  0.167284  0.830217  1
  Si  Si95  1  0.336447  0.503114  0.166048  1
  Si  Si96  1  0.333614  0.500280  0.500363  1
  Si  Si97  1  0.333512  0.500178  0.833155  1
  Si  Si98  1  0.334359  0.832481  0.166916  1
  Si  Si99  1  0.333538  0.833306  0.500027  1
  Si  Si100  1  0.333613  0.832968  0.833054  1
  Si  Si101  1  0.665977  0.166447  0.166884  1
  Si  Si102  1  0.665823  0.166630  0.500843  1
  Si  Si103  1  0.665814  0.166417  0.832308  1
  Si  Si104  1  0.665814  0.501025  0.166916  1
  Si  Si105  1  0.666638  0.500204  0.500025  1
  Si  Si106  1  0.666303  0.500279  0.833054  1
  Si  Si107  1  0.665824  0.832490  0.166703  1
  Si  Si108  1  0.666608  0.833271  0.500068  1
  Si  Si109  1  0.666639  0.833306  0.833128  1
  Si  Si110  1  0.083330  0.250011  0.262694  1
  Si  Si111  1  0.083348  0.249941  0.583331  1
  Si  Si112  1  0.083334  0.250002  0.903962  1
  Si  Si113  1  0.083600  0.585319  0.251298  1
  Si  Si114  1  0.083333  0.584190  0.583334  1
  Si  Si115  1  0.083067  0.585320  0.915368  1
  Si  Si116  1  0.083066  0.914678  0.251297  1
  Si  Si117  1  0.083333  0.915808  0.583333  1
  Si  Si118  1  0.083601  0.914678  0.915369  1
  Si  Si119  1  0.418654  0.250267  0.251297  1
  Si  Si120  1  0.417524  0.250000  0.583333  1
  Si  Si121  1  0.418655  0.249733  0.915368  1
  Si  Si122  1  0.418451  0.585117  0.250534  1
  Si  Si123  1  0.416889  0.583556  0.583488  1
  Si  Si124  1  0.416836  0.583502  0.916488  1
  Si  Si125  1  0.416836  0.916497  0.250179  1
  Si  Si126  1  0.416885  0.916448  0.583174  1
  Si  Si127  1  0.418451  0.914881  0.916133  1
  Si  Si128  1  0.748013  0.249733  0.251298  1
  Si  Si129  1  0.749142  0.249999  0.583334  1
  Si  Si130  1  0.748013  0.250266  0.915369  1
  Si  Si131  1  0.749831  0.583501  0.250178  1
  Si  Si132  1  0.749783  0.583548  0.583172  1
  Si  Si133  1  0.748218  0.585115  0.916132  1
  Si  Si134  1  0.748216  0.914881  0.250534  1
  Si  Si135  1  0.749786  0.916452  0.583491  1
  Si  Si136  1  0.749831  0.916496  0.916488  1
  Si  Si137  1  0.168787  -0.004352  0.168787  1
  Si  Si138  1  0.166915  -0.001026  0.500852  1
  Si  Si139  1  0.166047  -0.003114  0.830219  1
  Si  Si140  1  0.178565  0.345359  0.178565  1
  Si  Si141  1  0.166877  0.333541  0.500698  1
  Si  Si142  1  0.168790  0.335457  0.828977  1
  Si  Si143  1  0.166879  0.667361  0.166879  1
  Si  Si144  1  0.166703  0.667509  0.500843  1
  Si  Si145  1  0.166916  0.667519  0.832307  1
  Si  Si146  1  0.500852  -0.001026  0.166915  1
  Si  Si147  1  0.500027  -0.000205  0.500027  1
  Si  Si148  1  0.500364  -0.000278  0.833056  1
  Si  Si149  1  0.500698  0.333541  0.166877  1
  Si  Si150  1  0.500842  0.333369  0.500842  1
  Si  Si151  1  0.500853  0.333582  0.832307  1
  Si  Si152  1  0.500843  0.667509  0.166703  1
  Si  Si153  1  0.500098  0.666766  0.500098  1
  Si  Si154  1  0.500027  0.666693  0.833129  1
  Si  Si155  1  0.830219  -0.003114  0.166047  1
  Si  Si156  1  0.833056  -0.000278  0.500364  1
  Si  Si157  1  0.833155  -0.000179  0.833155  1
  Si  Si158  1  0.828977  0.335457  0.168790  1
  Si  Si159  1  0.832307  0.333582  0.500853  1
  Si  Si160  1  0.830221  0.332711  0.830221  1
  Si  Si161  1  0.832307  0.667519  0.166915  1
  Si  Si162  1  0.833129  0.666693  0.500027  1
  Si  Si163  1  0.833056  0.667030  0.833056  1
  Si  Si164  1  0.083332  0.070644  0.083332  1
  Si  Si165  1  0.083065  0.082036  0.418652  1
  Si  Si166  1  0.083600  0.082034  0.748013  1
  Si  Si167  1  0.083320  0.429377  0.083320  1
  Si  Si168  1  0.083600  0.417966  0.418655  1
  Si  Si169  1  0.083067  0.417964  0.748012  1
  Si  Si170  1  0.083334  0.750000  0.083334  1
  Si  Si171  1  0.083333  0.750000  0.417525  1
  Si  Si172  1  0.083333  0.749999  0.749143  1
  Si  Si173  1  0.418652  0.082036  0.083065  1
  Si  Si174  1  0.416836  0.083154  0.416836  1
  Si  Si175  1  0.418452  0.082799  0.748215  1
  Si  Si176  1  0.418655  0.417966  0.083600  1
  Si  Si177  1  0.418448  0.417199  0.418448  1
  Si  Si178  1  0.416836  0.416844  0.749831  1
  Si  Si179  1  0.417525  0.750000  0.083333  1
  Si  Si180  1  0.416890  0.750157  0.416890  1
  Si  Si181  1  0.416884  0.749839  0.749782  1
  Si  Si182  1  0.748013  0.082034  0.083600  1
  Si  Si183  1  0.748215  0.082799  0.418452  1
  Si  Si184  1  0.749831  0.083154  0.749831  1
  Si  Si185  1  0.748012  0.417964  0.083067  1
  Si  Si186  1  0.749831  0.416844  0.416836  1
  Si  Si187  1  0.748217  0.417200  0.748217  1
  Si  Si188  1  0.749143  0.749999  0.083333  1
  Si  Si189  1  0.749782  0.749839  0.416884  1
  Si  Si190  1  0.749787  0.750158  0.749787  1
  Si  Si191  1  0.178633  0.154755  -0.011993  1
  Si  Si192  1  0.168787  0.164547  0.337683  1
  Si  Si193  1  0.166884  0.166447  0.665977  1
  Si  Si194  1  0.168791  0.504356  -0.002125  1
  Si  Si195  1  0.166048  0.503114  0.336447  1
  Si  Si196  1  0.166916  0.501025  0.665814  1
  Si  Si197  1  0.166879  0.832637  -0.000212  1
  Si  Si198  1  0.166916  0.832481  0.334359  1
  Si  Si199  1  0.166703  0.832490  0.665824  1
  Si  Si200  1  0.500692  0.166449  -0.000215  1
  Si  Si201  1  0.500852  0.166417  0.334359  1
  Si  Si202  1  0.500843  0.166630  0.665823  1
  Si  Si203  1  0.500853  0.501026  -0.000249  1
  Si  Si204  1  0.500363  0.500280  0.333614  1
  Si  Si205  1  0.500025  0.500204  0.666638  1
  Si  Si206  1  0.500843  0.832489  -0.000037  1
  Si  Si207  1  0.500027  0.833306  0.333538  1
  Si  Si208  1  0.500068  0.833271  0.666608  1
  Si  Si209  1  0.828979  0.164543  -0.002122  1
  Si  Si210  1  0.830217  0.167284  0.336449  1
  Si  Si211  1  0.832308  0.166417  0.665814  1
  Si  Si212  1  0.830221  0.503112  0.000620  1
  Si  Si213  1  0.833155  0.500178  0.333512  1
  Si  Si214  1  0.833054  0.500279  0.666303  1
  Si  Si215  1  0.832308  0.832481  -0.000249  1
  Si  Si216  1  0.833054  0.832968  0.333613  1
  Si  Si217  1  0.833128  0.833306  0.666639  1
