# 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  -0.000027  0.333362  0.166697  1
  Si  Si2  1  0.254484  0.247688  0.081021  1
  Si  Si3  1  0.253254  0.250427  0.419563  1
  Si  Si4  1  0.251223  0.249450  0.748989  1
  Si  Si5  1  0.253253  0.586229  0.083762  1
  Si  Si6  1  0.250327  0.583237  0.416572  1
  Si  Si7  1  0.250429  0.583347  0.749428  1
  Si  Si8  1  0.251225  0.915655  0.082782  1
  Si  Si9  1  0.250429  0.916094  0.416681  1
  Si  Si10  1  0.250572  0.916318  0.749649  1
  Si  Si11  1  0.582859  0.249593  0.082926  1
  Si  Si12  1  0.582620  0.249556  0.417546  1
  Si  Si13  1  0.582656  0.249740  0.748959  1
  Si  Si14  1  0.582620  0.584213  0.082888  1
  Si  Si15  1  0.583050  0.583443  0.416773  1
  Si  Si16  1  0.583536  0.583205  0.749782  1
  Si  Si17  1  0.582656  0.915626  0.083073  1
  Si  Si18  1  0.583535  0.916447  0.416538  1
  Si  Si19  1  0.583656  0.916310  0.749643  1
  Si  Si20  1  0.904906  0.237990  0.071325  1
  Si  Si21  1  0.914659  0.247767  0.420962  1
  Si  Si22  1  0.916730  0.249591  0.749169  1
  Si  Si23  1  0.914658  0.587628  0.081101  1
  Si  Si24  1  0.917381  0.586358  0.419691  1
  Si  Si25  1  0.916658  0.584148  0.749017  1
  Si  Si26  1  0.916730  0.915836  0.082924  1
  Si  Si27  1  0.916658  0.915684  0.417482  1
  Si  Si28  1  0.916900  0.915670  0.749011  1
  Si  Si29  1  -0.000007  -0.002155  -0.001538  1
  Si  Si30  1  0.000483  -0.002130  0.334404  1
  Si  Si31  1  0.000270  -0.001037  0.666518  1
  Si  Si32  1  0.000234  0.333111  -0.012714  1
  Si  Si33  1  0.000035  0.333301  0.346041  1
  Si  Si34  1  0.000209  0.333125  0.666491  1
  Si  Si35  1  0.000440  0.668474  -0.001487  1
  Si  Si36  1  -0.000159  0.668577  0.334555  1
  Si  Si37  1  0.000200  0.667369  0.666525  1
  Si  Si38  1  0.333795  -0.000448  -0.000523  1
  Si  Si39  1  0.335286  -0.001956  0.333651  1
  Si  Si40  1  0.333859  -0.000523  0.666454  1
  Si  Si41  1  0.335498  0.333340  -0.001532  1
  Si  Si42  1  0.335470  0.332848  0.334402  1
  Si  Si43  1  0.334365  0.333066  0.666520  1
  Si  Si44  1  0.335324  0.668225  -0.000718  1
  Si  Si45  1  0.333593  0.666587  0.333217  1
  Si  Si46  1  0.333710  0.666560  0.666268  1
  Si  Si47  1  0.665098  -0.001999  -0.000729  1
  Si  Si48  1  0.666725  -0.000278  0.333247  1
  Si  Si49  1  0.666784  -0.000379  0.666265  1
  Si  Si50  1  0.664860  0.332890  -0.001496  1
  Si  Si51  1  0.664764  0.333480  0.334544  1
  Si  Si52  1  0.665963  0.333139  0.666520  1
  Si  Si53  1  0.666770  0.666572  -0.000321  1
  Si  Si54  1  0.664979  0.668354  0.333765  1
  Si  Si55  1  0.666663  0.666675  0.666699  1
  Si  Si56  1  0.253285  0.080052  0.249164  1
  Si  Si57  1  0.250535  0.082801  0.583450  1
  Si  Si58  1  0.250432  0.082911  0.916244  1
  Si  Si59  1  0.254460  0.418545  0.251879  1
  Si  Si60  1  0.251202  0.416669  0.584037  1
  Si  Si61  1  0.253285  0.415832  0.913387  1
  Si  Si62  1  0.251199  0.750704  0.250001  1
  Si  Si63  1  0.250410  0.749725  0.583058  1
  Si  Si64  1  0.250538  0.750119  0.916136  1
  Si  Si65  1  0.582631  0.082123  0.250011  1
  Si  Si66  1  0.583615  0.082924  0.583059  1
  Si  Si67  1  0.583215  0.082794  0.916128  1
  Si  Si68  1  0.582742  0.416695  0.250029  1
  Si  Si69  1  0.582661  0.416489  0.584003  1
  Si  Si70  1  0.582630  0.416678  0.915456  1
  Si  Si71  1  0.582661  0.750669  0.249823  1
  Si  Si72  1  0.583500  0.749819  0.583152  1
  Si  Si73  1  0.583614  0.749726  0.916256  1
  Si  Si74  1  0.914786  0.078878  0.251875  1
  Si  Si75  1  0.916664  0.082134  0.584045  1
  Si  Si76  1  0.917502  0.080049  0.913382  1
  Si  Si77  1  0.904742  0.428600  0.261933  1
  Si  Si78  1  0.916623  0.416712  0.583926  1
  Si  Si79  1  0.914785  0.418543  0.912211  1
  Si  Si80  1  0.916623  0.750594  0.250045  1
  Si  Si81  1  0.916856  0.750665  0.584003  1
  Si  Si82  1  0.916664  0.750711  0.915468  1
  Si  Si83  1  0.000234  0.153952  0.166445  1
  Si  Si84  1  0.000442  0.165179  0.501809  1
  Si  Si85  1  -0.000007  0.165127  0.831178  1
  Si  Si86  1  0.000035  0.512708  0.166634  1
  Si  Si87  1  -0.000158  0.501222  0.501910  1
  Si  Si88  1  0.000482  0.501071  0.831203  1
  Si  Si89  1  0.000208  0.833157  0.166458  1
  Si  Si90  1  0.000199  0.833189  0.500704  1
  Si  Si91  1  0.000272  0.833182  0.832299  1
  Si  Si92  1  0.335497  0.165134  0.166673  1
  Si  Si93  1  0.335322  0.165947  0.501559  1
  Si  Si94  1  0.333794  0.166143  0.832884  1
  Si  Si95  1  0.335469  0.501069  0.166181  1
  Si  Si96  1  0.333596  0.499886  0.499922  1
  Si  Si97  1  0.335287  0.500318  0.831377  1
  Si  Si98  1  0.334365  0.833187  0.166400  1
  Si  Si99  1  0.333711  0.832935  0.499893  1
  Si  Si100  1  0.333859  0.833124  0.832810  1
  Si  Si101  1  0.664860  0.165171  0.166223  1
  Si  Si102  1  0.666770  0.166347  0.499905  1
  Si  Si103  1  0.665098  0.165938  0.831334  1
  Si  Si104  1  0.664763  0.501211  0.166813  1
  Si  Si105  1  0.664977  0.500430  0.501686  1
  Si  Si106  1  0.666726  0.499913  0.833057  1
  Si  Si107  1  0.665963  0.833186  0.166473  1
  Si  Si108  1  0.666663  0.833366  0.500008  1
  Si  Si109  1  0.666783  0.832932  0.832955  1
  Si  Si110  1  0.095335  0.237970  0.261786  1
  Si  Si111  1  0.083736  0.249595  0.583808  1
  Si  Si112  1  0.085639  0.247685  0.912193  1
  Si  Si113  1  0.085567  0.587630  0.252012  1
  Si  Si114  1  0.083774  0.584215  0.584053  1
  Si  Si115  1  0.082910  0.586230  0.913410  1
  Si  Si116  1  0.083742  0.915832  0.249943  1
  Si  Si117  1  0.083598  0.915633  0.584007  1
  Si  Si118  1  0.083889  0.915647  0.915436  1
  Si  Si119  1  0.417507  0.249586  0.249945  1
  Si  Si120  1  0.417702  0.249743  0.584006  1
  Si  Si121  1  0.417697  0.249450  0.915441  1
  Si  Si122  1  0.417659  0.584142  0.250007  1
  Si  Si123  1  0.416857  0.583195  0.583110  1
  Si  Si124  1  0.417239  0.583345  0.916234  1
  Si  Si125  1  0.417648  0.915677  0.249780  1
  Si  Si126  1  0.417035  0.916301  0.583026  1
  Si  Si127  1  0.417018  0.916316  0.916099  1
  Si  Si128  1  0.745713  0.247759  0.252005  1
  Si  Si129  1  0.749122  0.249564  0.584053  1
  Si  Si130  1  0.747096  0.250410  0.913403  1
  Si  Si131  1  0.746966  0.586360  0.249276  1
  Si  Si132  1  0.749885  0.583436  0.583617  1
  Si  Si133  1  0.750095  0.583240  0.916337  1
  Si  Si134  1  0.749184  0.915684  0.250013  1
  Si  Si135  1  0.750142  0.916464  0.583117  1
  Si  Si136  1  0.749997  0.916092  0.916236  1
  Si  Si137  1  0.168187  -0.002143  0.166672  1
  Si  Si138  1  0.167387  -0.001989  0.501563  1
  Si  Si139  1  0.167205  -0.000450  0.832883  1
  Si  Si140  1  0.179381  0.333101  0.166433  1
  Si  Si141  1  0.168150  0.332892  0.501808  1
  Si  Si142  1  0.168188  0.333342  0.831190  1
  Si  Si143  1  0.168149  0.668475  0.166224  1
  Si  Si144  1  0.166990  0.666569  0.499902  1
  Si  Si145  1  0.167390  0.668231  0.831347  1
  Si  Si146  1  0.500148  -0.001041  0.166407  1
  Si  Si147  1  0.500402  -0.000375  0.499894  1
  Si  Si148  1  0.500207  -0.000525  0.832808  1
  Si  Si149  1  0.500165  0.333116  0.166449  1
  Si  Si150  1  0.500150  0.333137  0.500702  1
  Si  Si151  1  0.500149  0.333071  0.832294  1
  Si  Si152  1  0.500150  0.667368  0.166469  1
  Si  Si153  1  0.499950  0.666667  0.499996  1
  Si  Si154  1  0.500402  0.666562  0.832957  1
  Si  Si155  1  0.832256  -0.002131  0.166180  1
  Si  Si156  1  0.833445  -0.000261  0.499932  1
  Si  Si157  1  0.833023  -0.001963  0.831371  1
  Si  Si158  1  0.820635  0.333301  0.166634  1
  Si  Si159  1  0.832114  0.333492  0.501910  1
  Si  Si160  1  0.832257  0.332846  0.831202  1
  Si  Si161  1  0.832115  0.668577  0.166825  1
  Si  Si162  1  0.832900  0.668353  0.501689  1
  Si  Si163  1  0.833446  0.666599  0.833072  1
  Si  Si164  1  0.085640  0.078861  0.081017  1
  Si  Si165  1  0.082910  0.080077  0.419565  1
  Si  Si166  1  0.083889  0.082103  0.748980  1
  Si  Si167  1  0.095336  0.428455  0.071304  1
  Si  Si168  1  0.085567  0.418678  0.420963  1
  Si  Si169  1  0.083742  0.416611  0.749164  1
  Si  Si170  1  0.083735  0.750474  0.082926  1
  Si  Si171  1  0.083773  0.750719  0.417548  1
  Si  Si172  1  0.083599  0.750672  0.748968  1
  Si  Si173  1  0.417697  0.082106  0.082785  1
  Si  Si174  1  0.417237  0.082902  0.416677  1
  Si  Si175  1  0.417017  0.082766  0.749649  1
  Si  Si176  1  0.417507  0.416613  0.082919  1
  Si  Si177  1  0.417659  0.416675  0.417476  1
  Si  Si178  1  0.417648  0.416446  0.749011  1
  Si  Si179  1  0.417701  0.750671  0.083076  1
  Si  Si180  1  0.416854  0.749777  0.416525  1
  Si  Si181  1  0.417035  0.749696  0.749634  1
  Si  Si182  1  0.747097  0.080070  0.083743  1
  Si  Si183  1  0.750096  0.083004  0.416572  1
  Si  Si184  1  0.749997  0.082901  0.749425  1
  Si  Si185  1  0.745713  0.418672  0.081092  1
  Si  Si186  1  0.746966  0.415942  0.419694  1
  Si  Si187  1  0.749183  0.416680  0.749018  1
  Si  Si188  1  0.749122  0.750719  0.082897  1
  Si  Si189  1  0.749887  0.750284  0.416772  1
  Si  Si190  1  0.750143  0.749785  0.749797  1
  Si  Si191  1  0.167095  0.166244  -0.000425  1
  Si  Si192  1  0.176056  0.157279  0.342330  1
  Si  Si193  1  0.167250  0.166084  0.666508  1
  Si  Si194  1  0.176053  0.508996  -0.009385  1
  Si  Si195  1  0.166925  0.499966  0.333299  1
  Si  Si196  1  0.167160  0.500096  0.666378  1
  Si  Si197  1  0.167250  0.833176  -0.000584  1
  Si  Si198  1  0.167161  0.833045  0.333429  1
  Si  Si199  1  0.167369  0.833073  0.666407  1
  Si  Si200  1  0.500167  0.166080  -0.000584  1
  Si  Si201  1  0.500291  0.166170  0.333426  1
  Si  Si202  1  0.500261  0.165964  0.666402  1
  Si  Si203  1  0.500291  0.500095  -0.000498  1
  Si  Si204  1  0.500011  0.500170  0.333503  1
  Si  Si205  1  0.500141  0.500151  0.666503  1
  Si  Si206  1  0.500261  0.833069  -0.000702  1
  Si  Si207  1  0.500140  0.833168  0.333483  1
  Si  Si208  1  0.500250  0.833100  0.666433  1
  Si  Si209  1  0.824341  0.157279  -0.009388  1
  Si  Si210  1  0.833370  0.166405  0.333299  1
  Si  Si211  1  0.833243  0.166187  0.666385  1
  Si  Si212  1  0.833370  0.499966  -0.000263  1
  Si  Si213  1  0.824102  0.509202  0.342539  1
  Si  Si214  1  0.833156  0.500177  0.666668  1
  Si  Si215  1  0.833243  0.833050  -0.000479  1
  Si  Si216  1  0.833156  0.833334  0.333511  1
  Si  Si217  1  0.833193  0.833175  0.666509  1
