# generated using pymatgen
data_ZrSi216
_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   ZrSi216
_chemical_formula_sum   'Zr1 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
  Zr  Zr1  1  0.082820  0.249768  0.083965  1
  Si  Si2  1  0.258141  0.250381  0.083291  1
  Si  Si3  1  0.249696  0.249699  0.417501  1
  Si  Si4  1  0.250445  0.250583  0.749176  1
  Si  Si5  1  0.250486  0.584483  0.083125  1
  Si  Si6  1  0.249743  0.583845  0.417372  1
  Si  Si7  1  0.249818  0.583742  0.750030  1
  Si  Si8  1  0.249668  0.916225  0.084012  1
  Si  Si9  1  0.249813  0.916771  0.416978  1
  Si  Si10  1  0.249725  0.916287  0.749774  1
  Si  Si11  1  0.583462  0.250180  0.083588  1
  Si  Si12  1  0.583474  0.250218  0.416982  1
  Si  Si13  1  0.583616  0.250233  0.749960  1
  Si  Si14  1  0.583646  0.583788  0.083541  1
  Si  Si15  1  0.583020  0.583373  0.416829  1
  Si  Si16  1  0.583168  0.583611  0.750171  1
  Si  Si17  1  0.583442  0.916846  0.083585  1
  Si  Si18  1  0.582864  0.916712  0.416998  1
  Si  Si19  1  0.583023  0.916974  0.750371  1
  Si  Si20  1  0.914294  0.248091  0.085563  1
  Si  Si21  1  0.916534  0.250236  0.417430  1
  Si  Si22  1  0.916242  0.249995  0.749250  1
  Si  Si23  1  0.916249  0.584394  0.083734  1
  Si  Si24  1  0.916517  0.583473  0.416820  1
  Si  Si25  1  0.916228  0.583594  0.750122  1
  Si  Si26  1  0.916549  0.916215  0.083390  1
  Si  Si27  1  0.915938  0.915543  0.418139  1
  Si  Si28  1  0.916479  0.916921  0.750287  1
  Si  Si29  1  0.999452  0.000018  0.999975  1
  Si  Si30  1  0.000631  0.998088  0.335562  1
  Si  Si31  1  0.999703  0.999837  0.666362  1
  Si  Si32  1  0.998706  0.340750  0.992979  1
  Si  Si33  1  0.999426  0.333720  0.333766  1
  Si  Si34  1  0.999928  0.333589  0.666671  1
  Si  Si35  1  0.999929  0.666962  0.000131  1
  Si  Si36  1  0.999772  0.667397  0.333921  1
  Si  Si37  1  0.999989  0.666723  0.667013  1
  Si  Si38  1  0.334247  0.999004  0.001726  1
  Si  Si39  1  0.333244  0.000063  0.333721  1
  Si  Si40  1  0.332876  0.000263  0.666933  1
  Si  Si41  1  0.335292  0.335120  0.998599  1
  Si  Si42  1  0.334248  0.331975  0.334692  1
  Si  Si43  1  0.333871  0.333708  0.666103  1
  Si  Si44  1  0.333840  0.667668  0.000057  1
  Si  Si45  1  0.332916  0.666780  0.333504  1
  Si  Si46  1  0.333119  0.666956  0.666807  1
  Si  Si47  1  0.666435  0.000109  0.000135  1
  Si  Si48  1  0.666181  0.000097  0.333620  1
  Si  Si49  1  0.666451  0.000343  0.667167  1
  Si  Si50  1  0.666578  0.333399  0.000278  1
  Si  Si51  1  0.666509  0.333545  0.333633  1
  Si  Si52  1  0.666406  0.333387  0.666408  1
  Si  Si53  1  0.666463  0.667299  0.000348  1
  Si  Si54  1  0.666441  0.666530  0.333389  1
  Si  Si55  1  0.666530  0.666897  0.666861  1
  Si  Si56  1  0.250214  0.083350  0.250379  1
  Si  Si57  1  0.249616  0.083360  0.583576  1
  Si  Si58  1  0.252931  0.079247  0.913633  1
  Si  Si59  1  0.252967  0.420029  0.254368  1
  Si  Si60  1  0.249722  0.416884  0.583475  1
  Si  Si61  1  0.250521  0.417521  0.916158  1
  Si  Si62  1  0.249670  0.750111  0.250358  1
  Si  Si63  1  0.249709  0.750144  0.583555  1
  Si  Si64  1  0.249698  0.750259  0.916844  1
  Si  Si65  1  0.583328  0.083456  0.250342  1
  Si  Si66  1  0.582647  0.083380  0.584090  1
  Si  Si67  1  0.582937  0.083388  0.916934  1
  Si  Si68  1  0.583046  0.416780  0.250348  1
  Si  Si69  1  0.583022  0.416864  0.583460  1
  Si  Si70  1  0.583301  0.416841  0.916940  1
  Si  Si71  1  0.582675  0.749619  0.250310  1
  Si  Si72  1  0.582942  0.750157  0.583616  1
  Si  Si73  1  0.583079  0.750255  0.916875  1
  Si  Si74  1  0.910108  0.077240  0.256352  1
  Si  Si75  1  0.916227  0.083392  0.583407  1
  Si  Si76  1  0.916770  0.083529  0.916593  1
  Si  Si77  1  0.916776  0.417027  0.250202  1
  Si  Si78  1  0.916252  0.416799  0.583609  1
  Si  Si79  1  0.912159  0.419944  0.913684  1
  Si  Si80  1  0.916290  0.750281  0.250320  1
  Si  Si81  1  0.916226  0.749688  0.583995  1
  Si  Si82  1  0.916258  0.750056  0.916919  1
  Si  Si83  1  0.992039  0.158656  0.175188  1
  Si  Si84  1  0.999704  0.166728  0.500275  1
  Si  Si85  1  0.998815  0.165815  0.831815  1
  Si  Si86  1  0.998803  0.501874  0.167962  1
  Si  Si87  1  0.999574  0.500212  0.500401  1
  Si  Si88  1  0.000553  0.500722  0.832941  1
  Si  Si89  1  0.999725  0.833374  0.166924  1
  Si  Si90  1  0.999837  0.832784  0.500933  1
  Si  Si91  1  0.999548  0.833332  0.833532  1
  Si  Si92  1  0.334852  0.165648  0.168125  1
  Si  Si93  1  0.333181  0.166606  0.500439  1
  Si  Si94  1  0.333582  0.167850  0.832979  1
  Si  Si95  1  0.333668  0.500738  0.165864  1
  Si  Si96  1  0.332941  0.500052  0.500331  1
  Si  Si97  1  0.333481  0.500538  0.833225  1
  Si  Si98  1  0.333197  0.833337  0.167142  1
  Si  Si99  1  0.332962  0.833460  0.500279  1
  Si  Si100  1  0.332897  0.833407  0.833674  1
  Si  Si101  1  0.666517  0.166805  0.166889  1
  Si  Si102  1  0.665708  0.166990  0.500953  1
  Si  Si103  1  0.666319  0.166607  0.833577  1
  Si  Si104  1  0.666409  0.500109  0.167077  1
  Si  Si105  1  0.666403  0.500012  0.500128  1
  Si  Si106  1  0.666309  0.500069  0.833648  1
  Si  Si107  1  0.665703  0.832785  0.166709  1
  Si  Si108  1  0.666385  0.833478  0.500251  1
  Si  Si109  1  0.666394  0.833607  0.833679  1
  Si  Si110  1  0.081316  0.248003  0.252904  1
  Si  Si111  1  0.083013  0.250168  0.583272  1
  Si  Si112  1  0.083509  0.250527  0.908732  1
  Si  Si113  1  0.082969  0.584449  0.250476  1
  Si  Si114  1  0.083080  0.583861  0.583145  1
  Si  Si115  1  0.083352  0.584402  0.916133  1
  Si  Si116  1  0.083125  0.916196  0.250259  1
  Si  Si117  1  0.082983  0.916720  0.583281  1
  Si  Si118  1  0.082766  0.916203  0.916994  1
  Si  Si119  1  0.417437  0.249972  0.250477  1
  Si  Si120  1  0.416812  0.250236  0.583107  1
  Si  Si121  1  0.417397  0.250496  0.916206  1
  Si  Si122  1  0.416420  0.583591  0.250242  1
  Si  Si123  1  0.416409  0.583585  0.583459  1
  Si  Si124  1  0.416697  0.583771  0.916827  1
  Si  Si125  1  0.416475  0.916902  0.250224  1
  Si  Si126  1  0.416277  0.916913  0.583570  1
  Si  Si127  1  0.416710  0.916323  0.916924  1
  Si  Si128  1  0.749330  0.250314  0.250125  1
  Si  Si129  1  0.749626  0.250214  0.583249  1
  Si  Si130  1  0.749330  0.249684  0.917019  1
  Si  Si131  1  0.749971  0.583337  0.250199  1
  Si  Si132  1  0.749663  0.583427  0.583497  1
  Si  Si133  1  0.749243  0.583854  0.916895  1
  Si  Si134  1  0.748502  0.915580  0.250539  1
  Si  Si135  1  0.749590  0.916736  0.583830  1
  Si  Si136  1  0.749785  0.916924  0.916810  1
  Si  Si137  1  0.166832  0.999925  0.167624  1
  Si  Si138  1  0.166386  0.999942  0.500247  1
  Si  Si139  1  0.164943  0.998920  0.832273  1
  Si  Si140  1  0.173615  0.340521  0.168201  1
  Si  Si141  1  0.166409  0.333407  0.500261  1
  Si  Si142  1  0.168063  0.335195  0.831341  1
  Si  Si143  1  0.166516  0.666978  0.166681  1
  Si  Si144  1  0.166238  0.667234  0.500168  1
  Si  Si145  1  0.166458  0.667572  0.832813  1
  Si  Si146  1  0.500331  0.999865  0.166934  1
  Si  Si147  1  0.499632  0.000277  0.500280  1
  Si  Si148  1  0.499526  0.000278  0.833700  1
  Si  Si149  1  0.499998  0.333536  0.166694  1
  Si  Si150  1  0.500154  0.333358  0.500073  1
  Si  Si151  1  0.500565  0.333646  0.832886  1
  Si  Si152  1  0.499663  0.666659  0.166546  1
  Si  Si153  1  0.499728  0.666836  0.500053  1
  Si  Si154  1  0.499849  0.667005  0.833465  1
  Si  Si155  1  0.831060  0.998063  0.165734  1
  Si  Si156  1  0.832941  0.000096  0.500489  1
  Si  Si157  1  0.833245  0.000230  0.833610  1
  Si  Si158  1  0.833275  0.333745  0.167431  1
  Si  Si159  1  0.832990  0.333498  0.500200  1
  Si  Si160  1  0.831875  0.331990  0.832270  1
  Si  Si161  1  0.832729  0.667342  0.166858  1
  Si  Si162  1  0.833162  0.666632  0.500193  1
  Si  Si163  1  0.833040  0.666798  0.833663  1
  Si  Si164  1  0.081329  0.080967  0.085674  1
  Si  Si165  1  0.083121  0.083402  0.417457  1
  Si  Si166  1  0.082961  0.083292  0.749227  1
  Si  Si167  1  0.083443  0.425056  0.083134  1
  Si  Si168  1  0.082752  0.416722  0.417524  1
  Si  Si169  1  0.083366  0.417571  0.749243  1
  Si  Si170  1  0.083060  0.750343  0.083564  1
  Si  Si171  1  0.083065  0.750474  0.417025  1
  Si  Si172  1  0.083065  0.750609  0.749883  1
  Si  Si173  1  0.417367  0.083288  0.083746  1
  Si  Si174  1  0.416472  0.083589  0.416890  1
  Si  Si175  1  0.416365  0.083540  0.750143  1
  Si  Si176  1  0.417447  0.417516  0.083202  1
  Si  Si177  1  0.416706  0.416837  0.417329  1
  Si  Si178  1  0.416728  0.416989  0.750004  1
  Si  Si179  1  0.416810  0.750646  0.083513  1
  Si  Si180  1  0.416300  0.750183  0.416859  1
  Si  Si181  1  0.416409  0.750327  0.750194  1
  Si  Si182  1  0.749306  0.083581  0.083334  1
  Si  Si183  1  0.748506  0.083178  0.418112  1
  Si  Si184  1  0.749928  0.083586  0.750361  1
  Si  Si185  1  0.749384  0.416609  0.083988  1
  Si  Si186  1  0.749845  0.416911  0.416843  1
  Si  Si187  1  0.749211  0.416846  0.749803  1
  Si  Si188  1  0.749675  0.750489  0.083522  1
  Si  Si189  1  0.749561  0.749889  0.416977  1
  Si  Si190  1  0.749706  0.750264  0.750306  1
  Si  Si191  1  0.173723  0.165544  0.993159  1
  Si  Si192  1  0.166871  0.166058  0.333842  1
  Si  Si193  1  0.166474  0.167058  0.666639  1
  Si  Si194  1  0.168095  0.502339  0.998490  1
  Si  Si195  1  0.164961  0.501328  0.334740  1
  Si  Si196  1  0.166508  0.500933  0.666148  1
  Si  Si197  1  0.166391  0.833426  0.000317  1
  Si  Si198  1  0.166439  0.833468  0.333743  1
  Si  Si199  1  0.166204  0.833511  0.666424  1
  Si  Si200  1  0.499971  0.167056  0.000217  1
  Si  Si201  1  0.500385  0.166845  0.333966  1
  Si  Si202  1  0.499665  0.167188  0.667070  1
  Si  Si203  1  0.500593  0.500898  0.000109  1
  Si  Si204  1  0.499629  0.500023  0.333445  1
  Si  Si205  1  0.499879  0.500296  0.666731  1
  Si  Si206  1  0.500222  0.833638  0.000393  1
  Si  Si207  1  0.499655  0.833413  0.333428  1
  Si  Si208  1  0.499718  0.833727  0.666918  1
  Si  Si209  1  0.833258  0.166273  0.999876  1
  Si  Si210  1  0.831098  0.167875  0.335567  1
  Si  Si211  1  0.832695  0.166870  0.666353  1
  Si  Si212  1  0.831942  0.501350  0.001699  1
  Si  Si213  1  0.833332  0.500056  0.333498  1
  Si  Si214  1  0.833052  0.500056  0.666884  1
  Si  Si215  1  0.832972  0.833503  0.000131  1
  Si  Si216  1  0.832955  0.833178  0.333594  1
  Si  Si217  1  0.833206  0.833513  0.667058  1