# generated using pymatgen
data_ZrSi215
_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   ZrSi215
_chemical_formula_sum   'Zr1 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
  Zr  Zr1  1  0.250000  0.250000  0.083333  1
  Si  Si2  1  0.250000  0.250000  0.416845  1
  Si  Si3  1  0.250000  0.250000  0.749821  1
  Si  Si4  1  0.250000  0.583512  0.083333  1
  Si  Si5  1  0.250156  0.584461  0.417795  1
  Si  Si6  1  0.249844  0.584461  0.748872  1
  Si  Si7  1  0.250000  0.916488  0.083333  1
  Si  Si8  1  0.249844  0.915539  0.417795  1
  Si  Si9  1  0.250156  0.915538  0.748872  1
  Si  Si10  1  0.583512  0.250000  0.083333  1
  Si  Si11  1  0.584461  0.250156  0.417795  1
  Si  Si12  1  0.584461  0.249844  0.748872  1
  Si  Si13  1  0.584461  0.584461  0.083490  1
  Si  Si14  1  0.583175  0.583175  0.416509  1
  Si  Si15  1  0.583154  0.583154  0.750179  1
  Si  Si16  1  0.584461  0.915538  0.083177  1
  Si  Si17  1  0.583154  0.916846  0.416488  1
  Si  Si18  1  0.583175  0.916825  0.750158  1
  Si  Si19  1  0.916488  0.250000  0.083333  1
  Si  Si20  1  0.915539  0.249844  0.417795  1
  Si  Si21  1  0.915538  0.250156  0.748872  1
  Si  Si22  1  0.915538  0.584461  0.083177  1
  Si  Si23  1  0.916846  0.583154  0.416488  1
  Si  Si24  1  0.916825  0.583175  0.750158  1
  Si  Si25  1  0.915539  0.915539  0.083490  1
  Si  Si26  1  0.916825  0.916825  0.416509  1
  Si  Si27  1  0.916846  0.916846  0.750179  1
  Si  Si28  1  -0.001707  -0.001707  0.000429  1
  Si  Si29  1  0.000115  0.000115  0.333219  1
  Si  Si30  1  0.000113  0.000113  0.666851  1
  Si  Si31  1  -0.000251  0.333176  0.000158  1
  Si  Si32  1  -0.001707  0.332905  0.335040  1
  Si  Si33  1  -0.000039  0.333300  0.666577  1
  Si  Si34  1  -0.000039  0.666755  0.000033  1
  Si  Si35  1  0.000113  0.666483  0.333221  1
  Si  Si36  1  0.000151  0.666528  0.666805  1
  Si  Si37  1  0.333176  -0.000251  0.000158  1
  Si  Si38  1  0.332905  -0.001707  0.335040  1
  Si  Si39  1  0.333300  -0.000039  0.666577  1
  Si  Si40  1  0.341713  0.341713  -0.008380  1
  Si  Si41  1  0.333176  0.333176  0.333585  1
  Si  Si42  1  0.333328  0.333328  0.666684  1
  Si  Si43  1  0.333328  0.666649  0.000005  1
  Si  Si44  1  0.333300  0.666755  0.333372  1
  Si  Si45  1  0.333394  0.667137  0.666197  1
  Si  Si46  1  0.666755  -0.000039  0.000033  1
  Si  Si47  1  0.666483  0.000113  0.333221  1
  Si  Si48  1  0.666528  0.000151  0.666805  1
  Si  Si49  1  0.666649  0.333328  0.000005  1
  Si  Si50  1  0.666755  0.333300  0.333372  1
  Si  Si51  1  0.667137  0.333394  0.666197  1
  Si  Si52  1  0.667137  0.667137  -0.000060  1
  Si  Si53  1  0.666528  0.666528  0.333182  1
  Si  Si54  1  0.666574  0.666574  0.666760  1
  Si  Si55  1  0.249742  0.081067  0.252266  1
  Si  Si56  1  0.250000  0.083432  0.583333  1
  Si  Si57  1  0.250258  0.081067  0.914400  1
  Si  Si58  1  0.250258  0.418933  0.252266  1
  Si  Si59  1  0.250000  0.416568  0.583333  1
  Si  Si60  1  0.249742  0.418933  0.914400  1
  Si  Si61  1  0.250000  0.750000  0.249901  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916766  1
  Si  Si64  1  0.583168  0.083457  0.249877  1
  Si  Si65  1  0.583222  0.083414  0.583249  1
  Si  Si66  1  0.583367  0.083457  0.916790  1
  Si  Si67  1  0.583367  0.416543  0.249876  1
  Si  Si68  1  0.583222  0.416586  0.583418  1
  Si  Si69  1  0.583168  0.416543  0.916790  1
  Si  Si70  1  0.583222  0.750085  0.249919  1
  Si  Si71  1  0.583126  0.750000  0.583333  1
  Si  Si72  1  0.583222  0.749915  0.916747  1
  Si  Si73  1  0.916633  0.083457  0.249876  1
  Si  Si74  1  0.916778  0.083414  0.583418  1
  Si  Si75  1  0.916832  0.083457  0.916790  1
  Si  Si76  1  0.916832  0.416543  0.249877  1
  Si  Si77  1  0.916778  0.416586  0.583249  1
  Si  Si78  1  0.916633  0.416543  0.916791  1
  Si  Si79  1  0.916778  0.749915  0.249919  1
  Si  Si80  1  0.916874  0.750000  0.583333  1
  Si  Si81  1  0.916778  0.750085  0.916748  1
  Si  Si82  1  -0.000252  0.166824  0.166509  1
  Si  Si83  1  -0.000039  0.166700  0.500089  1
  Si  Si84  1  -0.001707  0.167095  0.831627  1
  Si  Si85  1  -0.001707  0.501707  0.166238  1
  Si  Si86  1  0.000113  0.499887  0.499816  1
  Si  Si87  1  0.000115  0.499885  0.833448  1
  Si  Si88  1  -0.000039  0.833244  0.166634  1
  Si  Si89  1  0.000151  0.833472  0.499862  1
  Si  Si90  1  0.000113  0.833517  0.833446  1
  Si  Si91  1  0.341713  0.158287  0.175047  1
  Si  Si92  1  0.333328  0.166672  0.499982  1
  Si  Si93  1  0.333176  0.166824  0.833081  1
  Si  Si94  1  0.333176  0.500251  0.166509  1
  Si  Si95  1  0.333300  0.500039  0.500089  1
  Si  Si96  1  0.332905  0.501707  0.831626  1
  Si  Si97  1  0.333328  0.833351  0.166661  1
  Si  Si98  1  0.333394  0.832863  0.500470  1
  Si  Si99  1  0.333300  0.833245  0.833295  1
  Si  Si100  1  0.666649  0.166672  0.166661  1
  Si  Si101  1  0.667137  0.166606  0.500470  1
  Si  Si102  1  0.666755  0.166700  0.833295  1
  Si  Si103  1  0.666756  0.500039  0.166634  1
  Si  Si104  1  0.666528  0.499849  0.499862  1
  Si  Si105  1  0.666482  0.499887  0.833446  1
  Si  Si106  1  0.667137  0.832863  0.166727  1
  Si  Si107  1  0.666574  0.833426  0.499907  1
  Si  Si108  1  0.666528  0.833471  0.833484  1
  Si  Si109  1  0.081067  0.249742  0.252266  1
  Si  Si110  1  0.083432  0.250000  0.583333  1
  Si  Si111  1  0.081067  0.250258  0.914400  1
  Si  Si112  1  0.083457  0.583168  0.249877  1
  Si  Si113  1  0.083414  0.583222  0.583249  1
  Si  Si114  1  0.083457  0.583367  0.916790  1
  Si  Si115  1  0.083457  0.916633  0.249876  1
  Si  Si116  1  0.083414  0.916778  0.583418  1
  Si  Si117  1  0.083457  0.916832  0.916790  1
  Si  Si118  1  0.418933  0.250258  0.252266  1
  Si  Si119  1  0.416568  0.250000  0.583333  1
  Si  Si120  1  0.418933  0.249742  0.914400  1
  Si  Si121  1  0.416543  0.583367  0.249876  1
  Si  Si122  1  0.416586  0.583222  0.583418  1
  Si  Si123  1  0.416543  0.583168  0.916790  1
  Si  Si124  1  0.416543  0.916832  0.249877  1
  Si  Si125  1  0.416586  0.916778  0.583249  1
  Si  Si126  1  0.416543  0.916633  0.916791  1
  Si  Si127  1  0.750000  0.250000  0.249901  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916766  1
  Si  Si130  1  0.750085  0.583222  0.249919  1
  Si  Si131  1  0.750000  0.583126  0.583333  1
  Si  Si132  1  0.749915  0.583222  0.916747  1
  Si  Si133  1  0.749915  0.916778  0.249919  1
  Si  Si134  1  0.750000  0.916874  0.583333  1
  Si  Si135  1  0.750085  0.916778  0.916748  1
  Si  Si136  1  0.166824  -0.000252  0.166509  1
  Si  Si137  1  0.166700  -0.000039  0.500089  1
  Si  Si138  1  0.167095  -0.001707  0.831627  1
  Si  Si139  1  0.158287  0.341713  0.175047  1
  Si  Si140  1  0.166672  0.333328  0.499982  1
  Si  Si141  1  0.166824  0.333176  0.833081  1
  Si  Si142  1  0.166672  0.666649  0.166661  1
  Si  Si143  1  0.166606  0.667137  0.500470  1
  Si  Si144  1  0.166700  0.666755  0.833295  1
  Si  Si145  1  0.501707  -0.001707  0.166238  1
  Si  Si146  1  0.499887  0.000113  0.499816  1
  Si  Si147  1  0.499885  0.000115  0.833448  1
  Si  Si148  1  0.500251  0.333176  0.166509  1
  Si  Si149  1  0.500039  0.333300  0.500089  1
  Si  Si150  1  0.501707  0.332905  0.831626  1
  Si  Si151  1  0.500039  0.666756  0.166634  1
  Si  Si152  1  0.499849  0.666528  0.499862  1
  Si  Si153  1  0.499887  0.666482  0.833446  1
  Si  Si154  1  0.833244  -0.000039  0.166634  1
  Si  Si155  1  0.833472  0.000151  0.499862  1
  Si  Si156  1  0.833517  0.000113  0.833446  1
  Si  Si157  1  0.833351  0.333328  0.166661  1
  Si  Si158  1  0.832863  0.333394  0.500470  1
  Si  Si159  1  0.833245  0.333300  0.833295  1
  Si  Si160  1  0.832863  0.667137  0.166727  1
  Si  Si161  1  0.833426  0.666574  0.499907  1
  Si  Si162  1  0.833471  0.666528  0.833484  1
  Si  Si163  1  0.081067  0.081067  0.083591  1
  Si  Si164  1  0.083457  0.083457  0.416700  1
  Si  Si165  1  0.083457  0.083457  0.750165  1
  Si  Si166  1  0.081067  0.418934  0.083076  1
  Si  Si167  1  0.083457  0.416543  0.416502  1
  Si  Si168  1  0.083457  0.416543  0.749966  1
  Si  Si169  1  0.083432  0.750000  0.083333  1
  Si  Si170  1  0.083414  0.749915  0.416556  1
  Si  Si171  1  0.083414  0.750085  0.750111  1
  Si  Si172  1  0.418934  0.081067  0.083076  1
  Si  Si173  1  0.416543  0.083457  0.416502  1
  Si  Si174  1  0.416543  0.083457  0.749966  1
  Si  Si175  1  0.418933  0.418933  0.083591  1
  Si  Si176  1  0.416543  0.416543  0.416700  1
  Si  Si177  1  0.416543  0.416543  0.750165  1
  Si  Si178  1  0.416568  0.750000  0.083333  1
  Si  Si179  1  0.416586  0.750085  0.416556  1
  Si  Si180  1  0.416586  0.749915  0.750111  1
  Si  Si181  1  0.750000  0.083432  0.083333  1
  Si  Si182  1  0.749915  0.083414  0.416556  1
  Si  Si183  1  0.750085  0.083414  0.750111  1
  Si  Si184  1  0.750000  0.416568  0.083333  1
  Si  Si185  1  0.750085  0.416586  0.416556  1
  Si  Si186  1  0.749915  0.416586  0.750111  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416459  1
  Si  Si189  1  0.750000  0.750000  0.750208  1
  Si  Si190  1  0.158287  0.158287  -0.008380  1
  Si  Si191  1  0.166824  0.166824  0.333584  1
  Si  Si192  1  0.166672  0.166672  0.666684  1
  Si  Si193  1  0.166824  0.500251  0.000157  1
  Si  Si194  1  0.167095  0.501707  0.335040  1
  Si  Si195  1  0.166700  0.500039  0.666577  1
  Si  Si196  1  0.166672  0.833351  0.000005  1
  Si  Si197  1  0.166700  0.833245  0.333372  1
  Si  Si198  1  0.166606  0.832863  0.666197  1
  Si  Si199  1  0.500251  0.166824  0.000157  1
  Si  Si200  1  0.501707  0.167095  0.335040  1
  Si  Si201  1  0.500039  0.166700  0.666577  1
  Si  Si202  1  0.501707  0.501707  0.000429  1
  Si  Si203  1  0.499885  0.499885  0.333219  1
  Si  Si204  1  0.499887  0.499887  0.666851  1
  Si  Si205  1  0.500039  0.833245  0.000033  1
  Si  Si206  1  0.499887  0.833517  0.333221  1
  Si  Si207  1  0.499849  0.833472  0.666805  1
  Si  Si208  1  0.833351  0.166672  0.000005  1
  Si  Si209  1  0.833245  0.166700  0.333372  1
  Si  Si210  1  0.832863  0.166606  0.666197  1
  Si  Si211  1  0.833245  0.500039  0.000033  1
  Si  Si212  1  0.833517  0.499887  0.333221  1
  Si  Si213  1  0.833472  0.499849  0.666805  1
  Si  Si214  1  0.832863  0.832863  -0.000060  1
  Si  Si215  1  0.833471  0.833471  0.333182  1
  Si  Si216  1  0.833426  0.833426  0.666760  1
