# generated using pymatgen
data_HfSi215
_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   HfSi215
_chemical_formula_sum   'Hf1 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
  Hf  Hf1  1  0.250000  0.250000  0.083332  1
  Si  Si2  1  0.250000  0.250000  0.416978  1
  Si  Si3  1  0.250000  0.250000  0.749706  1
  Si  Si4  1  0.250001  0.583638  0.083330  1
  Si  Si5  1  0.250243  0.584474  0.417811  1
  Si  Si6  1  0.249760  0.584487  0.748850  1
  Si  Si7  1  0.249999  0.916362  0.083330  1
  Si  Si8  1  0.249757  0.915526  0.417811  1
  Si  Si9  1  0.250240  0.915513  0.748850  1
  Si  Si10  1  0.583638  0.250001  0.083330  1
  Si  Si11  1  0.584474  0.250243  0.417811  1
  Si  Si12  1  0.584487  0.249760  0.748850  1
  Si  Si13  1  0.584480  0.584480  0.083574  1
  Si  Si14  1  0.583402  0.583402  0.416722  1
  Si  Si15  1  0.583246  0.583246  0.750086  1
  Si  Si16  1  0.584480  0.915520  0.083092  1
  Si  Si17  1  0.583247  0.916753  0.416577  1
  Si  Si18  1  0.583396  0.916605  0.749928  1
  Si  Si19  1  0.916362  0.249999  0.083330  1
  Si  Si20  1  0.915526  0.249757  0.417811  1
  Si  Si21  1  0.915513  0.250240  0.748850  1
  Si  Si22  1  0.915520  0.584480  0.083092  1
  Si  Si23  1  0.916753  0.583247  0.416577  1
  Si  Si24  1  0.916605  0.583396  0.749928  1
  Si  Si25  1  0.915520  0.915520  0.083574  1
  Si  Si26  1  0.916598  0.916598  0.416722  1
  Si  Si27  1  0.916754  0.916754  0.750086  1
  Si  Si28  1  0.998302  0.998302  0.000238  1
  Si  Si29  1  0.999960  0.999960  0.333377  1
  Si  Si30  1  0.999997  0.999997  0.666785  1
  Si  Si31  1  0.999548  0.333311  0.000021  1
  Si  Si32  1  0.998304  0.333092  0.335032  1
  Si  Si33  1  0.999873  0.333375  0.666448  1
  Si  Si34  1  0.999884  0.666899  0.999971  1
  Si  Si35  1  0.999995  0.666542  0.333332  1
  Si  Si36  1  0.000034  0.666623  0.666711  1
  Si  Si37  1  0.333311  0.999548  0.000021  1
  Si  Si38  1  0.333092  0.998304  0.335032  1
  Si  Si39  1  0.333375  0.999873  0.666448  1
  Si  Si40  1  0.341386  0.341386  0.991947  1
  Si  Si41  1  0.333310  0.333310  0.333786  1
  Si  Si42  1  0.333360  0.333360  0.666590  1
  Si  Si43  1  0.333368  0.666773  0.999981  1
  Si  Si44  1  0.333370  0.666894  0.333455  1
  Si  Si45  1  0.333467  0.667160  0.666164  1
  Si  Si46  1  0.666899  0.999884  0.999971  1
  Si  Si47  1  0.666542  0.999995  0.333332  1
  Si  Si48  1  0.666623  0.000034  0.666711  1
  Si  Si49  1  0.666773  0.333368  0.999981  1
  Si  Si50  1  0.666894  0.333370  0.333455  1
  Si  Si51  1  0.667160  0.333467  0.666164  1
  Si  Si52  1  0.667131  0.667131  0.999830  1
  Si  Si53  1  0.666625  0.666625  0.333296  1
  Si  Si54  1  0.666623  0.666623  0.666710  1
  Si  Si55  1  0.249558  0.080956  0.252377  1
  Si  Si56  1  0.250001  0.083326  0.583387  1
  Si  Si57  1  0.250442  0.080955  0.914288  1
  Si  Si58  1  0.250442  0.419044  0.252377  1
  Si  Si59  1  0.249999  0.416674  0.583387  1
  Si  Si60  1  0.249558  0.419046  0.914288  1
  Si  Si61  1  0.250000  0.750000  0.249987  1
  Si  Si62  1  0.250000  0.750000  0.583248  1
  Si  Si63  1  0.250000  0.750000  0.916687  1
  Si  Si64  1  0.583359  0.083377  0.249959  1
  Si  Si65  1  0.583344  0.083224  0.583218  1
  Si  Si66  1  0.583558  0.083227  0.916561  1
  Si  Si67  1  0.583552  0.416772  0.250108  1
  Si  Si68  1  0.583345  0.416774  0.583448  1
  Si  Si69  1  0.583366  0.416624  0.916712  1
  Si  Si70  1  0.583349  0.750117  0.250105  1
  Si  Si71  1  0.583216  0.750000  0.583331  1
  Si  Si72  1  0.583338  0.749886  0.916558  1
  Si  Si73  1  0.916448  0.083228  0.250108  1
  Si  Si74  1  0.916655  0.083226  0.583448  1
  Si  Si75  1  0.916634  0.083376  0.916712  1
  Si  Si76  1  0.916641  0.416623  0.249959  1
  Si  Si77  1  0.916656  0.416776  0.583218  1
  Si  Si78  1  0.916442  0.416774  0.916561  1
  Si  Si79  1  0.916651  0.749883  0.250105  1
  Si  Si80  1  0.916784  0.750000  0.583331  1
  Si  Si81  1  0.916662  0.750114  0.916558  1
  Si  Si82  1  0.999547  0.166690  0.166641  1
  Si  Si83  1  0.999883  0.166633  0.500235  1
  Si  Si84  1  0.998299  0.166907  0.831635  1
  Si  Si85  1  0.998302  0.501698  0.166423  1
  Si  Si86  1  0.999998  0.500002  0.499875  1
  Si  Si87  1  0.999956  0.500044  0.833294  1
  Si  Si88  1  0.999873  0.833112  0.166711  1
  Si  Si89  1  0.000032  0.833381  0.499951  1
  Si  Si90  1  0.999999  0.833457  0.833328  1
  Si  Si91  1  0.341384  0.158615  0.174718  1
  Si  Si92  1  0.333361  0.166639  0.500117  1
  Si  Si93  1  0.333311  0.166689  0.832882  1
  Si  Si94  1  0.333310  0.500452  0.166642  1
  Si  Si95  1  0.333367  0.500117  0.500235  1
  Si  Si96  1  0.333093  0.501701  0.831635  1
  Si  Si97  1  0.333356  0.833243  0.166700  1
  Si  Si98  1  0.333497  0.832869  0.500453  1
  Si  Si99  1  0.333369  0.833106  0.833213  1
  Si  Si100  1  0.666757  0.166644  0.166700  1
  Si  Si101  1  0.667131  0.166503  0.500453  1
  Si  Si102  1  0.666894  0.166631  0.833213  1
  Si  Si103  1  0.666888  0.500127  0.166711  1
  Si  Si104  1  0.666619  0.499968  0.499951  1
  Si  Si105  1  0.666543  0.500001  0.833328  1
  Si  Si106  1  0.667157  0.832843  0.166792  1
  Si  Si107  1  0.666623  0.833377  0.499956  1
  Si  Si108  1  0.666620  0.833380  0.833366  1
  Si  Si109  1  0.080956  0.249558  0.252377  1
  Si  Si110  1  0.083326  0.250001  0.583387  1
  Si  Si111  1  0.080955  0.250442  0.914288  1
  Si  Si112  1  0.083377  0.583359  0.249959  1
  Si  Si113  1  0.083224  0.583344  0.583218  1
  Si  Si114  1  0.083227  0.583558  0.916561  1
  Si  Si115  1  0.083228  0.916448  0.250108  1
  Si  Si116  1  0.083226  0.916655  0.583448  1
  Si  Si117  1  0.083376  0.916634  0.916712  1
  Si  Si118  1  0.419044  0.250442  0.252377  1
  Si  Si119  1  0.416674  0.249999  0.583387  1
  Si  Si120  1  0.419046  0.249558  0.914288  1
  Si  Si121  1  0.416772  0.583552  0.250108  1
  Si  Si122  1  0.416774  0.583345  0.583448  1
  Si  Si123  1  0.416624  0.583366  0.916712  1
  Si  Si124  1  0.416623  0.916641  0.249959  1
  Si  Si125  1  0.416776  0.916656  0.583218  1
  Si  Si126  1  0.416774  0.916442  0.916561  1
  Si  Si127  1  0.750000  0.250000  0.249987  1
  Si  Si128  1  0.750000  0.250000  0.583248  1
  Si  Si129  1  0.750000  0.250000  0.916687  1
  Si  Si130  1  0.750117  0.583349  0.250105  1
  Si  Si131  1  0.750000  0.583216  0.583331  1
  Si  Si132  1  0.749886  0.583338  0.916558  1
  Si  Si133  1  0.749883  0.916651  0.250105  1
  Si  Si134  1  0.750000  0.916784  0.583331  1
  Si  Si135  1  0.750114  0.916662  0.916558  1
  Si  Si136  1  0.166690  0.999547  0.166641  1
  Si  Si137  1  0.166633  0.999883  0.500235  1
  Si  Si138  1  0.166907  0.998299  0.831635  1
  Si  Si139  1  0.158615  0.341384  0.174718  1
  Si  Si140  1  0.166639  0.333361  0.500117  1
  Si  Si141  1  0.166689  0.333311  0.832882  1
  Si  Si142  1  0.166644  0.666757  0.166700  1
  Si  Si143  1  0.166503  0.667131  0.500453  1
  Si  Si144  1  0.166631  0.666894  0.833213  1
  Si  Si145  1  0.501698  0.998302  0.166423  1
  Si  Si146  1  0.500002  0.999998  0.499875  1
  Si  Si147  1  0.500044  0.999956  0.833294  1
  Si  Si148  1  0.500452  0.333310  0.166642  1
  Si  Si149  1  0.500117  0.333367  0.500235  1
  Si  Si150  1  0.501701  0.333093  0.831635  1
  Si  Si151  1  0.500127  0.666888  0.166711  1
  Si  Si152  1  0.499968  0.666619  0.499951  1
  Si  Si153  1  0.500001  0.666543  0.833328  1
  Si  Si154  1  0.833112  0.999873  0.166711  1
  Si  Si155  1  0.833381  0.000032  0.499951  1
  Si  Si156  1  0.833457  0.999999  0.833328  1
  Si  Si157  1  0.833243  0.333356  0.166700  1
  Si  Si158  1  0.832869  0.333497  0.500453  1
  Si  Si159  1  0.833106  0.333369  0.833213  1
  Si  Si160  1  0.832843  0.667157  0.166792  1
  Si  Si161  1  0.833377  0.666623  0.499956  1
  Si  Si162  1  0.833380  0.666620  0.833366  1
  Si  Si163  1  0.080955  0.080955  0.083775  1
  Si  Si164  1  0.083229  0.083229  0.416892  1
  Si  Si165  1  0.083373  0.083373  0.749974  1
  Si  Si166  1  0.080956  0.419044  0.082890  1
  Si  Si167  1  0.083380  0.416620  0.416700  1
  Si  Si168  1  0.083224  0.416776  0.749782  1
  Si  Si169  1  0.083325  0.750000  0.083389  1
  Si  Si170  1  0.083217  0.749887  0.416669  1
  Si  Si171  1  0.083231  0.750117  0.749985  1
  Si  Si172  1  0.419044  0.080956  0.082890  1
  Si  Si173  1  0.416620  0.083380  0.416700  1
  Si  Si174  1  0.416776  0.083224  0.749782  1
  Si  Si175  1  0.419045  0.419045  0.083775  1
  Si  Si176  1  0.416771  0.416771  0.416892  1
  Si  Si177  1  0.416627  0.416627  0.749974  1
  Si  Si178  1  0.416675  0.750000  0.083389  1
  Si  Si179  1  0.416783  0.750113  0.416669  1
  Si  Si180  1  0.416770  0.749883  0.749985  1
  Si  Si181  1  0.750000  0.083325  0.083389  1
  Si  Si182  1  0.749887  0.083217  0.416669  1
  Si  Si183  1  0.750117  0.083231  0.749985  1
  Si  Si184  1  0.750000  0.416675  0.083389  1
  Si  Si185  1  0.750113  0.416783  0.416669  1
  Si  Si186  1  0.749883  0.416770  0.749985  1
  Si  Si187  1  0.750000  0.750000  0.083254  1
  Si  Si188  1  0.750000  0.750000  0.416551  1
  Si  Si189  1  0.750000  0.750000  0.750117  1
  Si  Si190  1  0.158614  0.158614  0.991947  1
  Si  Si191  1  0.166690  0.166690  0.333786  1
  Si  Si192  1  0.166640  0.166640  0.666590  1
  Si  Si193  1  0.166689  0.500452  0.000021  1
  Si  Si194  1  0.166908  0.501696  0.335032  1
  Si  Si195  1  0.166625  0.500127  0.666448  1
  Si  Si196  1  0.166632  0.833227  0.999981  1
  Si  Si197  1  0.166630  0.833106  0.333455  1
  Si  Si198  1  0.166533  0.832840  0.666164  1
  Si  Si199  1  0.500452  0.166689  0.000021  1
  Si  Si200  1  0.501696  0.166908  0.335032  1
  Si  Si201  1  0.500127  0.166625  0.666448  1
  Si  Si202  1  0.501698  0.501698  0.000238  1
  Si  Si203  1  0.500040  0.500040  0.333377  1
  Si  Si204  1  0.500003  0.500003  0.666785  1
  Si  Si205  1  0.500116  0.833102  0.999971  1
  Si  Si206  1  0.500005  0.833458  0.333332  1
  Si  Si207  1  0.499966  0.833377  0.666711  1
  Si  Si208  1  0.833227  0.166632  0.999981  1
  Si  Si209  1  0.833106  0.166630  0.333455  1
  Si  Si210  1  0.832840  0.166533  0.666164  1
  Si  Si211  1  0.833102  0.500116  0.999971  1
  Si  Si212  1  0.833458  0.500005  0.333332  1
  Si  Si213  1  0.833377  0.499966  0.666711  1
  Si  Si214  1  0.832869  0.832869  0.999830  1
  Si  Si215  1  0.833375  0.833375  0.333296  1
  Si  Si216  1  0.833377  0.833377  0.666710  1
