# generated using pymatgen
data_HfSi216
_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   HfSi216
_chemical_formula_sum   'Hf1 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
  Hf  Hf1  1  0.082693  0.250579  0.083983  1
  Si  Si2  1  0.256939  0.250774  0.084166  1
  Si  Si3  1  0.250062  0.250299  0.417921  1
  Si  Si4  1  0.250328  0.250136  0.748875  1
  Si  Si5  1  0.250055  0.584569  0.083649  1
  Si  Si6  1  0.250371  0.584531  0.417840  1
  Si  Si7  1  0.249943  0.583744  0.750005  1
  Si  Si8  1  0.250360  0.915487  0.083436  1
  Si  Si9  1  0.249939  0.916665  0.417121  1
  Si  Si10  1  0.250206  0.916402  0.749733  1
  Si  Si11  1  0.583203  0.250191  0.083512  1
  Si  Si12  1  0.583357  0.250214  0.417017  1
  Si  Si13  1  0.583281  0.250303  0.749922  1
  Si  Si14  1  0.583350  0.583682  0.083531  1
  Si  Si15  1  0.583285  0.583714  0.416994  1
  Si  Si16  1  0.583027  0.583789  0.750021  1
  Si  Si17  1  0.583275  0.916547  0.083607  1
  Si  Si18  1  0.583063  0.916740  0.417102  1
  Si  Si19  1  0.583067  0.916819  0.750089  1
  Si  Si20  1  0.912182  0.250422  0.083812  1
  Si  Si21  1  0.916399  0.250160  0.418038  1
  Si  Si22  1  0.916115  0.250292  0.748967  1
  Si  Si23  1  0.916349  0.584712  0.083449  1
  Si  Si24  1  0.916331  0.583682  0.417030  1
  Si  Si25  1  0.915875  0.584383  0.749474  1
  Si  Si26  1  0.916122  0.915599  0.083637  1
  Si  Si27  1  0.915915  0.916139  0.417703  1
  Si  Si28  1  0.916256  0.916785  0.750120  1
  Si  Si29  1  0.998373  0.998171  0.998525  1
  Si  Si30  1  0.001195  0.998552  0.335116  1
  Si  Si31  1  0.999486  0.999552  0.666324  1
  Si  Si32  1  0.994731  0.338602  0.991852  1
  Si  Si33  1  0.998687  0.334718  0.334547  1
  Si  Si34  1  0.999789  0.333546  0.666353  1
  Si  Si35  1  0.999769  0.667319  0.000041  1
  Si  Si36  1  0.999468  0.667084  0.333839  1
  Si  Si37  1  0.000040  0.666997  0.666393  1
  Si  Si38  1  0.334475  0.998858  0.001575  1
  Si  Si39  1  0.333622  0.999692  0.334188  1
  Si  Si40  1  0.333234  0.000119  0.666756  1
  Si  Si41  1  0.335087  0.334973  0.998547  1
  Si  Si42  1  0.334788  0.332170  0.335111  1
  Si  Si43  1  0.333743  0.333853  0.666350  1
  Si  Si44  1  0.333572  0.667115  0.999895  1
  Si  Si45  1  0.333246  0.667177  0.333672  1
  Si  Si46  1  0.333269  0.667009  0.666806  1
  Si  Si47  1  0.666149  0.999763  0.999879  1
  Si  Si48  1  0.666212  0.000132  0.333648  1
  Si  Si49  1  0.666330  0.000084  0.666786  1
  Si  Si50  1  0.666012  0.333554  0.000043  1
  Si  Si51  1  0.666227  0.333879  0.333824  1
  Si  Si52  1  0.666325  0.333281  0.666412  1
  Si  Si53  1  0.666028  0.667278  0.000303  1
  Si  Si54  1  0.666435  0.666950  0.333545  1
  Si  Si55  1  0.666491  0.666851  0.666738  1
  Si  Si56  1  0.250372  0.082905  0.250799  1
  Si  Si57  1  0.250002  0.083343  0.583563  1
  Si  Si58  1  0.253991  0.079332  0.912691  1
  Si  Si59  1  0.254797  0.422547  0.255910  1
  Si  Si60  1  0.249963  0.417160  0.583651  1
  Si  Si61  1  0.250368  0.417452  0.916305  1
  Si  Si62  1  0.249974  0.750322  0.250486  1
  Si  Si63  1  0.250002  0.750444  0.583775  1
  Si  Si64  1  0.250009  0.750169  0.916656  1
  Si  Si65  1  0.583009  0.083369  0.250478  1
  Si  Si66  1  0.582900  0.083360  0.583762  1
  Si  Si67  1  0.583120  0.083356  0.916647  1
  Si  Si68  1  0.583065  0.417133  0.250447  1
  Si  Si69  1  0.583074  0.417181  0.583595  1
  Si  Si70  1  0.583019  0.417160  0.916697  1
  Si  Si71  1  0.583106  0.750279  0.250498  1
  Si  Si72  1  0.583080  0.750265  0.583578  1
  Si  Si73  1  0.582903  0.750440  0.916644  1
  Si  Si74  1  0.910732  0.078505  0.255953  1
  Si  Si75  1  0.916186  0.083373  0.583652  1
  Si  Si76  1  0.915882  0.082915  0.916314  1
  Si  Si77  1  0.915792  0.417549  0.250880  1
  Si  Si78  1  0.916213  0.417131  0.583608  1
  Si  Si79  1  0.910783  0.422541  0.911898  1
  Si  Si80  1  0.916198  0.750236  0.250461  1
  Si  Si81  1  0.916162  0.750274  0.583569  1
  Si  Si82  1  0.916178  0.750327  0.916691  1
  Si  Si83  1  0.994628  0.158443  0.172016  1
  Si  Si84  1  0.999789  0.166730  0.500658  1
  Si  Si85  1  0.998331  0.165151  0.831550  1
  Si  Si86  1  0.998632  0.501232  0.168025  1
  Si  Si87  1  0.999470  0.500490  0.500432  1
  Si  Si88  1  0.001136  0.501763  0.831900  1
  Si  Si89  1  0.999791  0.832969  0.166884  1
  Si  Si90  1  0.000076  0.833065  0.500328  1
  Si  Si91  1  0.999494  0.832986  0.832888  1
  Si  Si92  1  0.335112  0.165152  0.168335  1
  Si  Si93  1  0.333560  0.166563  0.500491  1
  Si  Si94  1  0.334445  0.168256  0.832221  1
  Si  Si95  1  0.334776  0.501769  0.165533  1
  Si  Si96  1  0.333229  0.500340  0.500486  1
  Si  Si97  1  0.333618  0.500830  0.833057  1
  Si  Si98  1  0.333776  0.832985  0.167173  1
  Si  Si99  1  0.333294  0.833482  0.500360  1
  Si  Si100  1  0.333209  0.833411  0.833449  1
  Si  Si101  1  0.666006  0.166730  0.166880  1
  Si  Si102  1  0.666042  0.167009  0.500625  1
  Si  Si103  1  0.666196  0.166574  0.833098  1
  Si  Si104  1  0.666231  0.500503  0.167192  1
  Si  Si105  1  0.666404  0.500243  0.500248  1
  Si  Si106  1  0.666174  0.500345  0.833422  1
  Si  Si107  1  0.666341  0.833076  0.166581  1
  Si  Si108  1  0.666492  0.833437  0.500166  1
  Si  Si109  1  0.666306  0.833489  0.833360  1
  Si  Si110  1  0.082884  0.250420  0.254469  1
  Si  Si111  1  0.083149  0.250191  0.583470  1
  Si  Si112  1  0.082515  0.250768  0.909719  1
  Si  Si113  1  0.083211  0.584703  0.250311  1
  Si  Si114  1  0.083120  0.583677  0.583308  1
  Si  Si115  1  0.083019  0.584566  0.916615  1
  Si  Si116  1  0.083041  0.915595  0.250551  1
  Si  Si117  1  0.083054  0.916545  0.583384  1
  Si  Si118  1  0.083236  0.915489  0.916303  1
  Si  Si119  1  0.417707  0.250285  0.250551  1
  Si  Si120  1  0.416743  0.250293  0.583393  1
  Si  Si121  1  0.417794  0.250133  0.916338  1
  Si  Si122  1  0.417206  0.584387  0.250783  1
  Si  Si123  1  0.416624  0.583787  0.583626  1
  Si  Si124  1  0.416674  0.583753  0.916720  1
  Si  Si125  1  0.416549  0.916787  0.250406  1
  Si  Si126  1  0.416569  0.916812  0.583598  1
  Si  Si127  1  0.416941  0.916396  0.916450  1
  Si  Si128  1  0.748621  0.250161  0.250278  1
  Si  Si129  1  0.749649  0.250221  0.583307  1
  Si  Si130  1  0.748762  0.250308  0.916604  1
  Si  Si131  1  0.749648  0.583681  0.250333  1
  Si  Si132  1  0.749657  0.583708  0.583368  1
  Si  Si133  1  0.748835  0.584523  0.916278  1
  Si  Si134  1  0.748969  0.916143  0.250748  1
  Si  Si135  1  0.749557  0.916750  0.583592  1
  Si  Si136  1  0.749548  0.916661  0.916726  1
  Si  Si137  1  0.168146  0.998174  0.168304  1
  Si  Si138  1  0.166784  0.999765  0.500519  1
  Si  Si139  1  0.165092  0.998873  0.832202  1
  Si  Si140  1  0.174839  0.338657  0.171971  1
  Si  Si141  1  0.166623  0.333549  0.500661  1
  Si  Si142  1  0.168127  0.334980  0.831578  1
  Si  Si143  1  0.166617  0.667321  0.166891  1
  Si  Si144  1  0.166346  0.667289  0.500647  1
  Si  Si145  1  0.166770  0.667112  0.833098  1
  Si  Si146  1  0.500334  0.999559  0.167171  1
  Si  Si147  1  0.499881  0.000075  0.500341  1
  Si  Si148  1  0.499917  0.000125  0.833432  1
  Si  Si149  1  0.500327  0.333539  0.166879  1
  Si  Si150  1  0.500257  0.333270  0.500355  1
  Si  Si151  1  0.500321  0.333856  0.832924  1
  Si  Si152  1  0.500281  0.667009  0.166616  1
  Si  Si153  1  0.499916  0.666854  0.500166  1
  Si  Si154  1  0.499858  0.667018  0.833382  1
  Si  Si155  1  0.831563  0.998565  0.165483  1
  Si  Si156  1  0.833017  0.000139  0.500451  1
  Si  Si157  1  0.832494  0.999695  0.833061  1
  Si  Si158  1  0.832106  0.334732  0.167996  1
  Si  Si159  1  0.832851  0.333878  0.500433  1
  Si  Si160  1  0.831576  0.332186  0.831894  1
  Si  Si161  1  0.832824  0.667088  0.167193  1
  Si  Si162  1  0.833110  0.666954  0.500232  1
  Si  Si163  1  0.832986  0.667192  0.833412  1
  Si  Si164  1  0.082503  0.076361  0.084175  1
  Si  Si165  1  0.083059  0.083283  0.417940  1
  Si  Si166  1  0.083202  0.082970  0.748848  1
  Si  Si167  1  0.082886  0.421138  0.083802  1
  Si  Si168  1  0.083243  0.416989  0.418047  1
  Si  Si169  1  0.083028  0.417210  0.748980  1
  Si  Si170  1  0.083152  0.750109  0.083508  1
  Si  Si171  1  0.083132  0.749944  0.417027  1
  Si  Si172  1  0.083039  0.750002  0.749903  1
  Si  Si173  1  0.417820  0.082975  0.083456  1
  Si  Si174  1  0.416651  0.083392  0.417104  1
  Si  Si175  1  0.416919  0.083145  0.749751  1
  Si  Si176  1  0.417691  0.417208  0.083645  1
  Si  Si177  1  0.417211  0.417444  0.417714  1
  Si  Si178  1  0.416532  0.417071  0.750136  1
  Si  Si179  1  0.416763  0.750006  0.083621  1
  Si  Si180  1  0.416650  0.750327  0.417106  1
  Si  Si181  1  0.416531  0.750264  0.750121  1
  Si  Si182  1  0.748724  0.083276  0.083617  1
  Si  Si183  1  0.748842  0.083031  0.417818  1
  Si  Si184  1  0.749582  0.083392  0.750018  1
  Si  Si185  1  0.748613  0.417000  0.083426  1
  Si  Si186  1  0.749634  0.416996  0.417034  1
  Si  Si187  1  0.748966  0.417449  0.749465  1
  Si  Si188  1  0.749636  0.749945  0.083524  1
  Si  Si189  1  0.749661  0.750106  0.416994  1
  Si  Si190  1  0.749546  0.750332  0.749996  1
  Si  Si191  1  0.171473  0.161829  0.995180  1
  Si  Si192  1  0.167446  0.165891  0.334540  1
  Si  Si193  1  0.166522  0.166811  0.666402  1
  Si  Si194  1  0.167424  0.501205  0.999246  1
  Si  Si195  1  0.164835  0.502179  0.335499  1
  Si  Si196  1  0.166651  0.500794  0.666441  1
  Si  Si197  1  0.166541  0.833017  0.000124  1
  Si  Si198  1  0.166671  0.833085  0.334160  1
  Si  Si199  1  0.166215  0.833417  0.666789  1
  Si  Si200  1  0.500273  0.166810  0.000136  1
  Si  Si201  1  0.500229  0.166665  0.334148  1
  Si  Si202  1  0.499900  0.167116  0.666781  1
  Si  Si203  1  0.500223  0.500790  0.000010  1
  Si  Si204  1  0.499961  0.500368  0.333688  1
  Si  Si205  1  0.499789  0.500328  0.666860  1
  Si  Si206  1  0.499885  0.833410  0.000436  1
  Si  Si207  1  0.499839  0.833551  0.333655  1
  Si  Si208  1  0.499801  0.833528  0.666858  1
  Si  Si209  1  0.832121  0.165892  0.999232  1
  Si  Si210  1  0.831173  0.168594  0.335493  1
  Si  Si211  1  0.832522  0.166676  0.666432  1
  Si  Si212  1  0.831173  0.502173  0.001827  1
  Si  Si213  1  0.832491  0.500828  0.334183  1
  Si  Si214  1  0.832972  0.500374  0.666702  1
  Si  Si215  1  0.832510  0.833090  0.999999  1
  Si  Si216  1  0.832998  0.833406  0.333667  1
  Si  Si217  1  0.833003  0.833559  0.666820  1