# 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  0.417839  1
  Si  Si3  1  0.250000  0.250000  0.748828  1
  Si  Si4  1  0.249999  0.584505  0.083334  1
  Si  Si5  1  0.250248  0.585277  0.418611  1
  Si  Si6  1  0.249753  0.585277  0.748056  1
  Si  Si7  1  0.250000  0.915495  0.083334  1
  Si  Si8  1  0.249752  0.914723  0.418611  1
  Si  Si9  1  0.250247  0.914723  0.748056  1
  Si  Si10  1  0.584505  0.250000  0.083334  1
  Si  Si11  1  0.585277  0.250248  0.418611  1
  Si  Si12  1  0.585277  0.249753  0.748056  1
  Si  Si13  1  0.585277  0.585277  0.083582  1
  Si  Si14  1  0.583400  0.583400  0.416726  1
  Si  Si15  1  0.583137  0.583137  0.750197  1
  Si  Si16  1  0.585277  0.914723  0.083086  1
  Si  Si17  1  0.583137  0.916863  0.416471  1
  Si  Si18  1  0.583400  0.916600  0.749941  1
  Si  Si19  1  0.915495  0.250001  0.083334  1
  Si  Si20  1  0.914723  0.249752  0.418611  1
  Si  Si21  1  0.914723  0.250247  0.748056  1
  Si  Si22  1  0.914723  0.585277  0.083086  1
  Si  Si23  1  0.916863  0.583137  0.416471  1
  Si  Si24  1  0.916600  0.583400  0.749941  1
  Si  Si25  1  0.914723  0.914723  0.083582  1
  Si  Si26  1  0.916600  0.916600  0.416726  1
  Si  Si27  1  0.916863  0.916863  0.750197  1
  Si  Si28  1  -0.002109  -0.002109  0.000654  1
  Si  Si29  1  0.000054  0.000054  0.333278  1
  Si  Si30  1  0.000156  0.000156  0.667128  1
  Si  Si31  1  -0.001511  0.333179  0.000156  1
  Si  Si32  1  -0.002108  0.332680  0.335441  1
  Si  Si33  1  -0.000469  0.333413  0.666282  1
  Si  Si34  1  -0.000470  0.667051  -0.000081  1
  Si  Si35  1  0.000156  0.666206  0.333177  1
  Si  Si36  1  -0.000008  0.666646  0.666688  1
  Si  Si37  1  0.333179  -0.001511  0.000156  1
  Si  Si38  1  0.332680  -0.002108  0.335441  1
  Si  Si39  1  0.333413  -0.000469  0.666282  1
  Si  Si40  1  0.360371  0.360371  -0.027036  1
  Si  Si41  1  0.333178  0.333178  0.334844  1
  Si  Si42  1  0.333596  0.333596  0.666266  1
  Si  Si43  1  0.333595  0.667067  -0.000264  1
  Si  Si44  1  0.333413  0.667052  0.333802  1
  Si  Si45  1  0.333623  0.667526  0.665809  1
  Si  Si46  1  0.667051  -0.000470  -0.000081  1
  Si  Si47  1  0.666206  0.000156  0.333177  1
  Si  Si48  1  0.666646  -0.000008  0.666688  1
  Si  Si49  1  0.667067  0.333595  -0.000264  1
  Si  Si50  1  0.667052  0.333413  0.333802  1
  Si  Si51  1  0.667526  0.333623  0.665809  1
  Si  Si52  1  0.667526  0.667526  -0.000288  1
  Si  Si53  1  0.666648  0.666648  0.333338  1
  Si  Si54  1  0.666589  0.666589  0.666745  1
  Si  Si55  1  0.247766  0.079848  0.253485  1
  Si  Si56  1  0.250000  0.083057  0.583334  1
  Si  Si57  1  0.252234  0.079848  0.913182  1
  Si  Si58  1  0.252234  0.420152  0.253485  1
  Si  Si59  1  0.250000  0.416943  0.583334  1
  Si  Si60  1  0.247766  0.420152  0.913182  1
  Si  Si61  1  0.250000  0.750000  0.250276  1
  Si  Si62  1  0.250000  0.750000  0.583334  1
  Si  Si63  1  0.250000  0.750000  0.916388  1
  Si  Si64  1  0.582872  0.083577  0.249757  1
  Si  Si65  1  0.583355  0.083056  0.583091  1
  Si  Si66  1  0.583958  0.083013  0.916345  1
  Si  Si67  1  0.583960  0.416987  0.250320  1
  Si  Si68  1  0.583355  0.416944  0.583576  1
  Si  Si69  1  0.582870  0.416424  0.916909  1
  Si  Si70  1  0.583354  0.750242  0.250276  1
  Si  Si71  1  0.583253  0.750000  0.583334  1
  Si  Si72  1  0.583356  0.749757  0.916389  1
  Si  Si73  1  0.916040  0.083013  0.250320  1
  Si  Si74  1  0.916645  0.083056  0.583576  1
  Si  Si75  1  0.917130  0.083576  0.916909  1
  Si  Si76  1  0.917128  0.416423  0.249757  1
  Si  Si77  1  0.916645  0.416944  0.583091  1
  Si  Si78  1  0.916042  0.416987  0.916345  1
  Si  Si79  1  0.916646  0.749758  0.250276  1
  Si  Si80  1  0.916747  0.750000  0.583334  1
  Si  Si81  1  0.916644  0.750243  0.916389  1
  Si  Si82  1  -0.001510  0.166821  0.166512  1
  Si  Si83  1  -0.000469  0.166587  0.500385  1
  Si  Si84  1  -0.002107  0.167320  0.831226  1
  Si  Si85  1  -0.002109  0.502109  0.166014  1
  Si  Si86  1  0.000156  0.499844  0.499540  1
  Si  Si87  1  0.000055  0.499945  0.833388  1
  Si  Si88  1  -0.000467  0.832947  0.166745  1
  Si  Si89  1  -0.000008  0.833354  0.499979  1
  Si  Si90  1  0.000156  0.833794  0.833490  1
  Si  Si91  1  0.360370  0.139630  0.193703  1
  Si  Si92  1  0.333597  0.166403  0.500402  1
  Si  Si93  1  0.333178  0.166822  0.831823  1
  Si  Si94  1  0.333179  0.501510  0.166512  1
  Si  Si95  1  0.333413  0.500469  0.500385  1
  Si  Si96  1  0.332680  0.502107  0.831226  1
  Si  Si97  1  0.333597  0.832931  0.166929  1
  Si  Si98  1  0.333622  0.832474  0.500860  1
  Si  Si99  1  0.333413  0.832948  0.832864  1
  Si  Si100  1  0.667069  0.166403  0.166929  1
  Si  Si101  1  0.667526  0.166378  0.500860  1
  Si  Si102  1  0.667052  0.166587  0.832864  1
  Si  Si103  1  0.667053  0.500467  0.166745  1
  Si  Si104  1  0.666646  0.500008  0.499979  1
  Si  Si105  1  0.666206  0.499844  0.833490  1
  Si  Si106  1  0.667525  0.832475  0.166958  1
  Si  Si107  1  0.666589  0.833411  0.499922  1
  Si  Si108  1  0.666648  0.833352  0.833329  1
  Si  Si109  1  0.079848  0.247766  0.253485  1
  Si  Si110  1  0.083057  0.250000  0.583334  1
  Si  Si111  1  0.079848  0.252234  0.913182  1
  Si  Si112  1  0.083577  0.582872  0.249757  1
  Si  Si113  1  0.083056  0.583355  0.583091  1
  Si  Si114  1  0.083013  0.583958  0.916345  1
  Si  Si115  1  0.083013  0.916040  0.250320  1
  Si  Si116  1  0.083056  0.916645  0.583576  1
  Si  Si117  1  0.083576  0.917130  0.916909  1
  Si  Si118  1  0.420152  0.252234  0.253485  1
  Si  Si119  1  0.416943  0.250000  0.583334  1
  Si  Si120  1  0.420152  0.247766  0.913182  1
  Si  Si121  1  0.416987  0.583960  0.250320  1
  Si  Si122  1  0.416944  0.583355  0.583576  1
  Si  Si123  1  0.416424  0.582870  0.916909  1
  Si  Si124  1  0.416423  0.917128  0.249757  1
  Si  Si125  1  0.416944  0.916645  0.583091  1
  Si  Si126  1  0.416987  0.916042  0.916345  1
  Si  Si127  1  0.750000  0.250000  0.250276  1
  Si  Si128  1  0.750000  0.250000  0.583334  1
  Si  Si129  1  0.750000  0.250000  0.916388  1
  Si  Si130  1  0.750242  0.583354  0.250276  1
  Si  Si131  1  0.750000  0.583253  0.583334  1
  Si  Si132  1  0.749757  0.583356  0.916389  1
  Si  Si133  1  0.749758  0.916646  0.250276  1
  Si  Si134  1  0.750000  0.916747  0.583334  1
  Si  Si135  1  0.750243  0.916644  0.916389  1
  Si  Si136  1  0.166821  -0.001510  0.166512  1
  Si  Si137  1  0.166587  -0.000469  0.500385  1
  Si  Si138  1  0.167320  -0.002107  0.831226  1
  Si  Si139  1  0.139630  0.360370  0.193703  1
  Si  Si140  1  0.166403  0.333597  0.500402  1
  Si  Si141  1  0.166822  0.333178  0.831823  1
  Si  Si142  1  0.166403  0.667069  0.166929  1
  Si  Si143  1  0.166378  0.667526  0.500860  1
  Si  Si144  1  0.166587  0.667052  0.832864  1
  Si  Si145  1  0.502109  -0.002109  0.166014  1
  Si  Si146  1  0.499844  0.000156  0.499540  1
  Si  Si147  1  0.499945  0.000055  0.833388  1
  Si  Si148  1  0.501510  0.333179  0.166512  1
  Si  Si149  1  0.500469  0.333413  0.500385  1
  Si  Si150  1  0.502107  0.332680  0.831226  1
  Si  Si151  1  0.500467  0.667053  0.166745  1
  Si  Si152  1  0.500008  0.666646  0.499979  1
  Si  Si153  1  0.499844  0.666206  0.833490  1
  Si  Si154  1  0.832947  -0.000467  0.166745  1
  Si  Si155  1  0.833354  -0.000008  0.499979  1
  Si  Si156  1  0.833794  0.000156  0.833490  1
  Si  Si157  1  0.832931  0.333597  0.166929  1
  Si  Si158  1  0.832474  0.333622  0.500860  1
  Si  Si159  1  0.832948  0.333413  0.832864  1
  Si  Si160  1  0.832475  0.667525  0.166958  1
  Si  Si161  1  0.833411  0.666589  0.499922  1
  Si  Si162  1  0.833352  0.666648  0.833329  1
  Si  Si163  1  0.079847  0.079847  0.085569  1
  Si  Si164  1  0.083013  0.083013  0.417293  1
  Si  Si165  1  0.083576  0.083576  0.750462  1
  Si  Si166  1  0.079847  0.420153  0.081098  1
  Si  Si167  1  0.083576  0.416424  0.416205  1
  Si  Si168  1  0.083013  0.416987  0.749374  1
  Si  Si169  1  0.083059  0.749999  0.083329  1
  Si  Si170  1  0.083056  0.749757  0.416689  1
  Si  Si171  1  0.083056  0.750243  0.749978  1
  Si  Si172  1  0.420153  0.079847  0.081098  1
  Si  Si173  1  0.416424  0.083576  0.416205  1
  Si  Si174  1  0.416987  0.083013  0.749374  1
  Si  Si175  1  0.420153  0.420153  0.085569  1
  Si  Si176  1  0.416987  0.416987  0.417293  1
  Si  Si177  1  0.416424  0.416424  0.750462  1
  Si  Si178  1  0.416941  0.750001  0.083329  1
  Si  Si179  1  0.416944  0.750243  0.416689  1
  Si  Si180  1  0.416944  0.749757  0.749978  1
  Si  Si181  1  0.749999  0.083059  0.083329  1
  Si  Si182  1  0.749757  0.083056  0.416689  1
  Si  Si183  1  0.750243  0.083056  0.749978  1
  Si  Si184  1  0.750001  0.416941  0.083329  1
  Si  Si185  1  0.750243  0.416944  0.416689  1
  Si  Si186  1  0.749757  0.416944  0.749978  1
  Si  Si187  1  0.750000  0.750000  0.083334  1
  Si  Si188  1  0.750000  0.750000  0.416587  1
  Si  Si189  1  0.750000  0.750000  0.750080  1
  Si  Si190  1  0.139629  0.139629  -0.027036  1
  Si  Si191  1  0.166822  0.166822  0.334844  1
  Si  Si192  1  0.166404  0.166404  0.666266  1
  Si  Si193  1  0.166821  0.501511  0.000156  1
  Si  Si194  1  0.167320  0.502108  0.335441  1
  Si  Si195  1  0.166587  0.500469  0.666282  1
  Si  Si196  1  0.166405  0.832933  -0.000264  1
  Si  Si197  1  0.166587  0.832948  0.333802  1
  Si  Si198  1  0.166377  0.832474  0.665809  1
  Si  Si199  1  0.501511  0.166821  0.000156  1
  Si  Si200  1  0.502108  0.167320  0.335441  1
  Si  Si201  1  0.500469  0.166587  0.666282  1
  Si  Si202  1  0.502109  0.502109  0.000654  1
  Si  Si203  1  0.499946  0.499946  0.333278  1
  Si  Si204  1  0.499844  0.499844  0.667128  1
  Si  Si205  1  0.500470  0.832949  -0.000081  1
  Si  Si206  1  0.499844  0.833794  0.333177  1
  Si  Si207  1  0.500008  0.833354  0.666688  1
  Si  Si208  1  0.832933  0.166405  -0.000264  1
  Si  Si209  1  0.832948  0.166587  0.333802  1
  Si  Si210  1  0.832474  0.166377  0.665809  1
  Si  Si211  1  0.832949  0.500470  -0.000081  1
  Si  Si212  1  0.833794  0.499844  0.333177  1
  Si  Si213  1  0.833354  0.500008  0.666688  1
  Si  Si214  1  0.832474  0.832474  -0.000288  1
  Si  Si215  1  0.833352  0.833352  0.333338  1
  Si  Si216  1  0.833411  0.833411  0.666745  1