# 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  0.083195  0.250166  0.083485  1
  Si  Si2  1  0.255423  0.250097  0.083540  1
  Si  Si3  1  0.250134  0.250023  0.417837  1
  Si  Si4  1  0.250124  0.250302  0.749288  1
  Si  Si5  1  0.250037  0.584455  0.083374  1
  Si  Si6  1  0.250080  0.584133  0.417509  1
  Si  Si7  1  0.249786  0.583634  0.750159  1
  Si  Si8  1  0.250147  0.915869  0.083695  1
  Si  Si9  1  0.249864  0.916728  0.417060  1
  Si  Si10  1  0.250083  0.916182  0.749508  1
  Si  Si11  1  0.583150  0.250233  0.083530  1
  Si  Si12  1  0.583202  0.250206  0.417116  1
  Si  Si13  1  0.583112  0.250295  0.749912  1
  Si  Si14  1  0.583154  0.583805  0.083464  1
  Si  Si15  1  0.583112  0.583659  0.416900  1
  Si  Si16  1  0.583059  0.583648  0.750078  1
  Si  Si17  1  0.583098  0.916608  0.083528  1
  Si  Si18  1  0.583082  0.916852  0.416924  1
  Si  Si19  1  0.583193  0.916830  0.750120  1
  Si  Si20  1  0.910956  0.250233  0.083538  1
  Si  Si21  1  0.916212  0.250331  0.417781  1
  Si  Si22  1  0.916227  0.250028  0.749260  1
  Si  Si23  1  0.916160  0.584467  0.083647  1
  Si  Si24  1  0.916347  0.583672  0.416969  1
  Si  Si25  1  0.916182  0.584183  0.749451  1
  Si  Si26  1  0.916244  0.915939  0.083352  1
  Si  Si27  1  0.916245  0.916153  0.417505  1
  Si  Si28  1  0.916360  0.916840  0.750170  1
  Si  Si29  1  0.998788  0.998901  0.999116  1
  Si  Si30  1  0.001048  0.998711  0.334962  1
  Si  Si31  1  0.999624  0.999782  0.666496  1
  Si  Si32  1  0.993834  0.339503  0.994113  1
  Si  Si33  1  0.998761  0.334577  0.334812  1
  Si  Si34  1  0.999783  0.333552  0.666617  1
  Si  Si35  1  0.999744  0.667114  0.000130  1
  Si  Si36  1  0.999604  0.667218  0.333901  1
  Si  Si37  1  0.999907  0.667140  0.666519  1
  Si  Si38  1  0.334677  0.998658  0.001417  1
  Si  Si39  1  0.333440  0.999898  0.333907  1
  Si  Si40  1  0.333200  0.000123  0.666708  1
  Si  Si41  1  0.334436  0.334549  0.999108  1
  Si  Si42  1  0.334621  0.332284  0.334960  1
  Si  Si43  1  0.333550  0.333714  0.666499  1
  Si  Si44  1  0.333503  0.667286  0.000033  1
  Si  Si45  1  0.333194  0.666913  0.333518  1
  Si  Si46  1  0.333103  0.666831  0.666858  1
  Si  Si47  1  0.666046  0.999832  0.000035  1
  Si  Si48  1  0.666422  0.000132  0.333525  1
  Si  Si49  1  0.666507  0.000218  0.666869  1
  Si  Si50  1  0.666222  0.333587  0.000134  1
  Si  Si51  1  0.666112  0.333731  0.333908  1
  Si  Si52  1  0.666200  0.333415  0.666524  1
  Si  Si53  1  0.666192  0.667134  0.000234  1
  Si  Si54  1  0.666407  0.666925  0.333531  1
  Si  Si55  1  0.666430  0.666902  0.666819  1
  Si  Si56  1  0.250251  0.083091  0.250623  1
  Si  Si57  1  0.249929  0.083404  0.583655  1
  Si  Si58  1  0.254482  0.078855  0.912308  1
  Si  Si59  1  0.254405  0.421367  0.254769  1
  Si  Si60  1  0.249910  0.416988  0.583505  1
  Si  Si61  1  0.250124  0.417202  0.916557  1
  Si  Si62  1  0.249922  0.750095  0.250356  1
  Si  Si63  1  0.249893  0.750172  0.583582  1
  Si  Si64  1  0.249881  0.750274  0.916730  1
  Si  Si65  1  0.583246  0.083413  0.250359  1
  Si  Si66  1  0.583169  0.083420  0.583584  1
  Si  Si67  1  0.583060  0.083446  0.916732  1
  Si  Si68  1  0.583077  0.416991  0.250301  1
  Si  Si69  1  0.583129  0.417083  0.583542  1
  Si  Si70  1  0.583173  0.417036  0.916699  1
  Si  Si71  1  0.583113  0.750233  0.250322  1
  Si  Si72  1  0.583102  0.750238  0.583492  1
  Si  Si73  1  0.583114  0.750209  0.916660  1
  Si  Si74  1  0.911974  0.078943  0.254760  1
  Si  Si75  1  0.916344  0.083424  0.583508  1
  Si  Si76  1  0.916138  0.083221  0.916565  1
  Si  Si77  1  0.916110  0.417231  0.250581  1
  Si  Si78  1  0.916334  0.416998  0.583573  1
  Si  Si79  1  0.911899  0.421444  0.912242  1
  Si  Si80  1  0.916338  0.750256  0.250294  1
  Si  Si81  1  0.916240  0.750213  0.583538  1
  Si  Si82  1  0.916294  0.750164  0.916696  1
  Si  Si83  1  0.993886  0.160820  0.172870  1
  Si  Si84  1  0.999799  0.166829  0.500454  1
  Si  Si85  1  0.998755  0.165748  0.832222  1
  Si  Si86  1  0.998693  0.501492  0.167918  1
  Si  Si87  1  0.999593  0.500600  0.500544  1
  Si  Si88  1  0.000981  0.501629  0.832017  1
  Si  Si89  1  0.999800  0.833282  0.166873  1
  Si  Si90  1  0.999937  0.833172  0.500473  1
  Si  Si91  1  0.999607  0.833170  0.833138  1
  Si  Si92  1  0.334498  0.165699  0.167974  1
  Si  Si93  1  0.333585  0.166685  0.500680  1
  Si  Si94  1  0.334601  0.167985  0.832095  1
  Si  Si95  1  0.334538  0.501570  0.165619  1
  Si  Si96  1  0.333186  0.500159  0.500305  1
  Si  Si97  1  0.333316  0.500459  0.833360  1
  Si  Si98  1  0.333577  0.833100  0.167107  1
  Si  Si99  1  0.333140  0.833454  0.500275  1
  Si  Si100  1  0.333166  0.833372  0.833478  1
  Si  Si101  1  0.666235  0.166866  0.166881  1
  Si  Si102  1  0.666227  0.166991  0.500455  1
  Si  Si103  1  0.666031  0.166766  0.833115  1
  Si  Si104  1  0.666064  0.500629  0.167024  1
  Si  Si105  1  0.666378  0.500277  0.500192  1
  Si  Si106  1  0.666332  0.500236  0.833403  1
  Si  Si107  1  0.666205  0.833237  0.166655  1
  Si  Si108  1  0.666450  0.833593  0.500185  1
  Si  Si109  1  0.666453  0.833533  0.833498  1
  Si  Si110  1  0.083209  0.250135  0.255767  1
  Si  Si111  1  0.083125  0.250206  0.583548  1
  Si  Si112  1  0.083227  0.250108  0.911254  1
  Si  Si113  1  0.082996  0.584416  0.250455  1
  Si  Si114  1  0.083104  0.583786  0.583479  1
  Si  Si115  1  0.083235  0.584453  0.916549  1
  Si  Si116  1  0.083345  0.915876  0.250473  1
  Si  Si117  1  0.083068  0.916540  0.583561  1
  Si  Si118  1  0.083043  0.915926  0.916581  1
  Si  Si119  1  0.417460  0.249988  0.250474  1
  Si  Si120  1  0.416786  0.250257  0.583568  1
  Si  Si121  1  0.417407  0.250285  0.916578  1
  Si  Si122  1  0.417136  0.584135  0.250356  1
  Si  Si123  1  0.416494  0.583589  0.583574  1
  Si  Si124  1  0.416533  0.583664  0.916840  1
  Si  Si125  1  0.416582  0.916754  0.250347  1
  Si  Si126  1  0.416552  0.916757  0.583494  1
  Si  Si127  1  0.417178  0.916148  0.916557  1
  Si  Si128  1  0.748918  0.250346  0.250457  1
  Si  Si129  1  0.749548  0.250221  0.583478  1
  Si  Si130  1  0.748885  0.250098  0.916553  1
  Si  Si131  1  0.749671  0.583661  0.250262  1
  Si  Si132  1  0.749659  0.583663  0.583427  1
  Si  Si133  1  0.749154  0.584171  0.916512  1
  Si  Si134  1  0.749207  0.916198  0.250360  1
  Si  Si135  1  0.749744  0.916834  0.583579  1
  Si  Si136  1  0.749669  0.916807  0.916835  1
  Si  Si137  1  0.167642  0.998844  0.167980  1
  Si  Si138  1  0.166647  0.999744  0.500686  1
  Si  Si139  1  0.165344  0.998731  0.832106  1
  Si  Si140  1  0.172504  0.339427  0.172856  1
  Si  Si141  1  0.166505  0.333533  0.500454  1
  Si  Si142  1  0.167592  0.334589  0.832219  1
  Si  Si143  1  0.166469  0.667106  0.166879  1
  Si  Si144  1  0.166328  0.667110  0.500456  1
  Si  Si145  1  0.166567  0.667304  0.833114  1
  Si  Si146  1  0.500242  0.999757  0.167112  1
  Si  Si147  1  0.499873  0.000182  0.500286  1
  Si  Si148  1  0.499950  0.000165  0.833485  1
  Si  Si149  1  0.500052  0.333534  0.166873  1
  Si  Si150  1  0.500162  0.333387  0.500483  1
  Si  Si151  1  0.500166  0.333726  0.833136  1
  Si  Si152  1  0.500098  0.667147  0.166653  1
  Si  Si153  1  0.499740  0.666888  0.500191  1
  Si  Si154  1  0.499795  0.666879  0.833489  1
  Si  Si155  1  0.831765  0.998797  0.165617  1
  Si  Si156  1  0.833174  0.000145  0.500311  1
  Si  Si157  1  0.832882  0.000026  0.833365  1
  Si  Si158  1  0.831850  0.334645  0.167923  1
  Si  Si159  1  0.832730  0.333741  0.500545  1
  Si  Si160  1  0.831715  0.332353  0.832028  1
  Si  Si161  1  0.832698  0.667270  0.167019  1
  Si  Si162  1  0.833052  0.666953  0.500200  1
  Si  Si163  1  0.833091  0.666998  0.833408  1
  Si  Si164  1  0.083243  0.077909  0.083542  1
  Si  Si165  1  0.083313  0.083198  0.417840  1
  Si  Si166  1  0.083034  0.083206  0.749288  1
  Si  Si167  1  0.083112  0.422372  0.083541  1
  Si  Si168  1  0.083009  0.417124  0.417784  1
  Si  Si169  1  0.083307  0.417111  0.749254  1
  Si  Si170  1  0.083098  0.750185  0.083527  1
  Si  Si171  1  0.083120  0.750132  0.417110  1
  Si  Si172  1  0.083031  0.750218  0.749913  1
  Si  Si173  1  0.417470  0.083185  0.083698  1
  Si  Si174  1  0.416613  0.083464  0.417065  1
  Si  Si175  1  0.417149  0.083242  0.749501  1
  Si  Si176  1  0.417394  0.417089  0.083355  1
  Si  Si177  1  0.417183  0.417079  0.417508  1
  Si  Si178  1  0.416499  0.416975  0.750170  1
  Si  Si179  1  0.416727  0.750239  0.083524  1
  Si  Si180  1  0.416477  0.750245  0.416919  1
  Si  Si181  1  0.416500  0.750135  0.750113  1
  Si  Si182  1  0.748883  0.083297  0.083373  1
  Si  Si183  1  0.749210  0.083244  0.417506  1
  Si  Si184  1  0.749704  0.083545  0.750162  1
  Si  Si185  1  0.748866  0.417171  0.083650  1
  Si  Si186  1  0.749667  0.416988  0.416967  1
  Si  Si187  1  0.749160  0.417140  0.749456  1
  Si  Si188  1  0.749524  0.750172  0.083459  1
  Si  Si189  1  0.749674  0.750214  0.416906  1
  Si  Si190  1  0.749680  0.750266  0.750085  1
  Si  Si191  1  0.172552  0.160783  0.994203  1
  Si  Si192  1  0.167621  0.165711  0.334883  1
  Si  Si193  1  0.166492  0.166840  0.666647  1
  Si  Si194  1  0.167493  0.501490  0.999116  1
  Si  Si195  1  0.165303  0.501583  0.334932  1
  Si  Si196  1  0.166619  0.500621  0.666461  1
  Si  Si197  1  0.166500  0.833266  0.000200  1
  Si  Si198  1  0.166678  0.833092  0.333987  1
  Si  Si199  1  0.166285  0.833231  0.666608  1
  Si  Si200  1  0.500072  0.166835  0.000198  1
  Si  Si201  1  0.500246  0.166652  0.333988  1
  Si  Si202  1  0.500102  0.167038  0.666599  1
  Si  Si203  1  0.500179  0.500599  0.000009  1
  Si  Si204  1  0.499920  0.500226  0.333529  1
  Si  Si205  1  0.499780  0.500224  0.666863  1
  Si  Si206  1  0.500108  0.833231  0.000311  1
  Si  Si207  1  0.499834  0.833495  0.333588  1
  Si  Si208  1  0.499811  0.833520  0.666878  1
  Si  Si209  1  0.831848  0.165849  0.999125  1
  Si  Si210  1  0.831748  0.168036  0.334937  1
  Si  Si211  1  0.832715  0.166717  0.666465  1
  Si  Si212  1  0.831687  0.501642  0.001340  1
  Si  Si213  1  0.832855  0.500482  0.333780  1
  Si  Si214  1  0.833055  0.500275  0.666642  1
  Si  Si215  1  0.832728  0.833158  0.000007  1
  Si  Si216  1  0.833106  0.833405  0.333532  1
  Si  Si217  1  0.833105  0.833552  0.666868  1