# 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  0.083333  1
  Si  Si2  1  0.250000  0.250000  0.416850  1
  Si  Si3  1  0.250000  0.250000  0.749817  1
  Si  Si4  1  0.250000  0.583516  0.083333  1
  Si  Si5  1  0.250167  0.584402  0.417735  1
  Si  Si6  1  0.249833  0.584402  0.748932  1
  Si  Si7  1  0.250000  0.916484  0.083333  1
  Si  Si8  1  0.249833  0.915598  0.417735  1
  Si  Si9  1  0.250167  0.915599  0.748932  1
  Si  Si10  1  0.583516  0.250000  0.083333  1
  Si  Si11  1  0.584402  0.250167  0.417735  1
  Si  Si12  1  0.584402  0.249833  0.748932  1
  Si  Si13  1  0.584402  0.584402  0.083501  1
  Si  Si14  1  0.583175  0.583175  0.416508  1
  Si  Si15  1  0.583157  0.583157  0.750176  1
  Si  Si16  1  0.584402  0.915598  0.083166  1
  Si  Si17  1  0.583157  0.916843  0.416491  1
  Si  Si18  1  0.583175  0.916825  0.750159  1
  Si  Si19  1  0.916484  0.250000  0.083333  1
  Si  Si20  1  0.915598  0.249833  0.417735  1
  Si  Si21  1  0.915598  0.250167  0.748932  1
  Si  Si22  1  0.915598  0.584402  0.083166  1
  Si  Si23  1  0.916843  0.583157  0.416491  1
  Si  Si24  1  0.916825  0.583175  0.750159  1
  Si  Si25  1  0.915598  0.915598  0.083501  1
  Si  Si26  1  0.916825  0.916825  0.416508  1
  Si  Si27  1  0.916843  0.916843  0.750176  1
  Si  Si28  1  -0.001658  -0.001658  0.000396  1
  Si  Si29  1  0.000104  0.000104  0.333229  1
  Si  Si30  1  0.000105  0.000105  0.666850  1
  Si  Si31  1  -0.000290  0.333176  0.000158  1
  Si  Si32  1  -0.001658  0.332937  0.334991  1
  Si  Si33  1  -0.000033  0.333293  0.666587  1
  Si  Si34  1  -0.000033  0.666747  0.000040  1
  Si  Si35  1  0.000105  0.666483  0.333229  1
  Si  Si36  1  0.000150  0.666527  0.666807  1
  Si  Si37  1  0.333176  -0.000290  0.000158  1
  Si  Si38  1  0.332937  -0.001658  0.334991  1
  Si  Si39  1  0.333294  -0.000033  0.666586  1
  Si  Si40  1  0.341095  0.341095  -0.007762  1
  Si  Si41  1  0.333176  0.333176  0.333623  1
  Si  Si42  1  0.333321  0.333321  0.666686  1
  Si  Si43  1  0.333321  0.666647  0.000013  1
  Si  Si44  1  0.333294  0.666747  0.333366  1
  Si  Si45  1  0.333396  0.667099  0.666235  1
  Si  Si46  1  0.666747  -0.000033  0.000040  1
  Si  Si47  1  0.666483  0.000105  0.333229  1
  Si  Si48  1  0.666527  0.000150  0.666807  1
  Si  Si49  1  0.666647  0.333321  0.000013  1
  Si  Si50  1  0.666747  0.333294  0.333366  1
  Si  Si51  1  0.667099  0.333396  0.666235  1
  Si  Si52  1  0.667099  0.667099  -0.000063  1
  Si  Si53  1  0.666526  0.666526  0.333184  1
  Si  Si54  1  0.666575  0.666575  0.666758  1
  Si  Si55  1  0.249725  0.081108  0.252225  1
  Si  Si56  1  0.250000  0.083435  0.583333  1
  Si  Si57  1  0.250275  0.081108  0.914442  1
  Si  Si58  1  0.250275  0.418892  0.252225  1
  Si  Si59  1  0.250000  0.416565  0.583333  1
  Si  Si60  1  0.249725  0.418892  0.914442  1
  Si  Si61  1  0.250000  0.750000  0.249898  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916769  1
  Si  Si64  1  0.583192  0.083466  0.249867  1
  Si  Si65  1  0.583215  0.083415  0.583254  1
  Si  Si66  1  0.583381  0.083445  0.916779  1
  Si  Si67  1  0.583381  0.416555  0.249888  1
  Si  Si68  1  0.583215  0.416585  0.583412  1
  Si  Si69  1  0.583192  0.416534  0.916799  1
  Si  Si70  1  0.583215  0.750079  0.249919  1
  Si  Si71  1  0.583121  0.750000  0.583333  1
  Si  Si72  1  0.583215  0.749921  0.916748  1
  Si  Si73  1  0.916619  0.083445  0.249888  1
  Si  Si74  1  0.916785  0.083415  0.583412  1
  Si  Si75  1  0.916808  0.083466  0.916799  1
  Si  Si76  1  0.916808  0.416534  0.249867  1
  Si  Si77  1  0.916785  0.416585  0.583254  1
  Si  Si78  1  0.916619  0.416555  0.916779  1
  Si  Si79  1  0.916785  0.749921  0.249919  1
  Si  Si80  1  0.916879  0.750000  0.583333  1
  Si  Si81  1  0.916785  0.750079  0.916748  1
  Si  Si82  1  -0.000290  0.166824  0.166509  1
  Si  Si83  1  -0.000033  0.166707  0.500080  1
  Si  Si84  1  -0.001658  0.167063  0.831675  1
  Si  Si85  1  -0.001658  0.501658  0.166271  1
  Si  Si86  1  0.000105  0.499895  0.499817  1
  Si  Si87  1  0.000104  0.499896  0.833438  1
  Si  Si88  1  -0.000033  0.833253  0.166627  1
  Si  Si89  1  0.000150  0.833473  0.499860  1
  Si  Si90  1  0.000105  0.833517  0.833438  1
  Si  Si91  1  0.341095  0.158905  0.174429  1
  Si  Si92  1  0.333321  0.166679  0.499981  1
  Si  Si93  1  0.333176  0.166824  0.833044  1
  Si  Si94  1  0.333176  0.500290  0.166509  1
  Si  Si95  1  0.333293  0.500033  0.500080  1
  Si  Si96  1  0.332937  0.501658  0.831675  1
  Si  Si97  1  0.333321  0.833353  0.166654  1
  Si  Si98  1  0.333396  0.832901  0.500432  1
  Si  Si99  1  0.333294  0.833253  0.833301  1
  Si  Si100  1  0.666647  0.166679  0.166654  1
  Si  Si101  1  0.667099  0.166604  0.500432  1
  Si  Si102  1  0.666747  0.166706  0.833301  1
  Si  Si103  1  0.666747  0.500033  0.166627  1
  Si  Si104  1  0.666527  0.499850  0.499860  1
  Si  Si105  1  0.666483  0.499895  0.833438  1
  Si  Si106  1  0.667099  0.832901  0.166730  1
  Si  Si107  1  0.666575  0.833425  0.499908  1
  Si  Si108  1  0.666527  0.833473  0.833483  1
  Si  Si109  1  0.081108  0.249725  0.252225  1
  Si  Si110  1  0.083435  0.250000  0.583333  1
  Si  Si111  1  0.081108  0.250275  0.914442  1
  Si  Si112  1  0.083466  0.583192  0.249867  1
  Si  Si113  1  0.083415  0.583215  0.583254  1
  Si  Si114  1  0.083445  0.583381  0.916779  1
  Si  Si115  1  0.083445  0.916619  0.249888  1
  Si  Si116  1  0.083415  0.916785  0.583412  1
  Si  Si117  1  0.083466  0.916808  0.916799  1
  Si  Si118  1  0.418892  0.250275  0.252225  1
  Si  Si119  1  0.416565  0.250000  0.583333  1
  Si  Si120  1  0.418892  0.249725  0.914442  1
  Si  Si121  1  0.416555  0.583381  0.249888  1
  Si  Si122  1  0.416585  0.583215  0.583412  1
  Si  Si123  1  0.416534  0.583192  0.916799  1
  Si  Si124  1  0.416534  0.916808  0.249867  1
  Si  Si125  1  0.416586  0.916785  0.583254  1
  Si  Si126  1  0.416555  0.916619  0.916779  1
  Si  Si127  1  0.750000  0.250000  0.249898  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916769  1
  Si  Si130  1  0.750079  0.583215  0.249919  1
  Si  Si131  1  0.750000  0.583121  0.583333  1
  Si  Si132  1  0.749921  0.583215  0.916748  1
  Si  Si133  1  0.749921  0.916785  0.249919  1
  Si  Si134  1  0.750000  0.916879  0.583333  1
  Si  Si135  1  0.750079  0.916785  0.916748  1
  Si  Si136  1  0.166824  -0.000290  0.166509  1
  Si  Si137  1  0.166707  -0.000033  0.500080  1
  Si  Si138  1  0.167063  -0.001658  0.831675  1
  Si  Si139  1  0.158905  0.341095  0.174429  1
  Si  Si140  1  0.166679  0.333321  0.499981  1
  Si  Si141  1  0.166824  0.333176  0.833044  1
  Si  Si142  1  0.166679  0.666647  0.166654  1
  Si  Si143  1  0.166604  0.667099  0.500432  1
  Si  Si144  1  0.166706  0.666747  0.833301  1
  Si  Si145  1  0.501658  -0.001658  0.166271  1
  Si  Si146  1  0.499896  0.000105  0.499816  1
  Si  Si147  1  0.499896  0.000104  0.833438  1
  Si  Si148  1  0.500290  0.333176  0.166509  1
  Si  Si149  1  0.500033  0.333293  0.500080  1
  Si  Si150  1  0.501658  0.332937  0.831675  1
  Si  Si151  1  0.500033  0.666747  0.166627  1
  Si  Si152  1  0.499850  0.666527  0.499860  1
  Si  Si153  1  0.499895  0.666483  0.833438  1
  Si  Si154  1  0.833253  -0.000033  0.166627  1
  Si  Si155  1  0.833473  0.000150  0.499860  1
  Si  Si156  1  0.833517  0.000105  0.833438  1
  Si  Si157  1  0.833353  0.333321  0.166654  1
  Si  Si158  1  0.832901  0.333396  0.500432  1
  Si  Si159  1  0.833253  0.333294  0.833301  1
  Si  Si160  1  0.832901  0.667099  0.166730  1
  Si  Si161  1  0.833425  0.666575  0.499908  1
  Si  Si162  1  0.833474  0.666526  0.833483  1
  Si  Si163  1  0.081108  0.081108  0.083608  1
  Si  Si164  1  0.083445  0.083445  0.416715  1
  Si  Si165  1  0.083466  0.083466  0.750141  1
  Si  Si166  1  0.081108  0.418892  0.083058  1
  Si  Si167  1  0.083466  0.416534  0.416525  1
  Si  Si168  1  0.083445  0.416555  0.749952  1
  Si  Si169  1  0.083436  0.750000  0.083333  1
  Si  Si170  1  0.083414  0.749921  0.416548  1
  Si  Si171  1  0.083414  0.750079  0.750118  1
  Si  Si172  1  0.418892  0.081108  0.083058  1
  Si  Si173  1  0.416534  0.083466  0.416525  1
  Si  Si174  1  0.416555  0.083445  0.749952  1
  Si  Si175  1  0.418892  0.418892  0.083608  1
  Si  Si176  1  0.416555  0.416555  0.416715  1
  Si  Si177  1  0.416534  0.416534  0.750141  1
  Si  Si178  1  0.416564  0.750000  0.083333  1
  Si  Si179  1  0.416586  0.750079  0.416548  1
  Si  Si180  1  0.416586  0.749921  0.750118  1
  Si  Si181  1  0.750000  0.083435  0.083333  1
  Si  Si182  1  0.749921  0.083414  0.416548  1
  Si  Si183  1  0.750079  0.083414  0.750118  1
  Si  Si184  1  0.750000  0.416564  0.083333  1
  Si  Si185  1  0.750079  0.416586  0.416548  1
  Si  Si186  1  0.749921  0.416586  0.750118  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416454  1
  Si  Si189  1  0.750000  0.750000  0.750213  1
  Si  Si190  1  0.158905  0.158905  -0.007762  1
  Si  Si191  1  0.166824  0.166824  0.333623  1
  Si  Si192  1  0.166679  0.166679  0.666686  1
  Si  Si193  1  0.166824  0.500290  0.000158  1
  Si  Si194  1  0.167063  0.501658  0.334991  1
  Si  Si195  1  0.166707  0.500033  0.666587  1
  Si  Si196  1  0.166679  0.833353  0.000013  1
  Si  Si197  1  0.166706  0.833253  0.333366  1
  Si  Si198  1  0.166604  0.832901  0.666235  1
  Si  Si199  1  0.500290  0.166824  0.000158  1
  Si  Si200  1  0.501658  0.167063  0.334991  1
  Si  Si201  1  0.500033  0.166707  0.666587  1
  Si  Si202  1  0.501658  0.501658  0.000396  1
  Si  Si203  1  0.499896  0.499896  0.333229  1
  Si  Si204  1  0.499895  0.499895  0.666850  1
  Si  Si205  1  0.500033  0.833253  0.000040  1
  Si  Si206  1  0.499895  0.833517  0.333229  1
  Si  Si207  1  0.499850  0.833473  0.666807  1
  Si  Si208  1  0.833353  0.166679  0.000013  1
  Si  Si209  1  0.833253  0.166706  0.333366  1
  Si  Si210  1  0.832901  0.166604  0.666235  1
  Si  Si211  1  0.833253  0.500033  0.000040  1
  Si  Si212  1  0.833517  0.499895  0.333229  1
  Si  Si213  1  0.833473  0.499850  0.666807  1
  Si  Si214  1  0.832901  0.832901  -0.000063  1
  Si  Si215  1  0.833473  0.833473  0.333184  1
  Si  Si216  1  0.833425  0.833425  0.666759  1