# generated using pymatgen
data_Si216Ir
_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   Si216Ir
_chemical_formula_sum   'Si216 Ir1'
_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
  Si  Si1  1  0.247705  0.250000  0.083333  1
  Si  Si2  1  0.249470  0.249971  0.415905  1
  Si  Si3  1  0.249470  0.250029  0.750762  1
  Si  Si4  1  0.249470  0.582572  0.083304  1
  Si  Si5  1  0.249901  0.583777  0.417111  1
  Si  Si6  1  0.249619  0.583071  0.750262  1
  Si  Si7  1  0.249470  0.917428  0.083362  1
  Si  Si8  1  0.249619  0.916929  0.416404  1
  Si  Si9  1  0.249901  0.916223  0.749556  1
  Si  Si10  1  0.583333  0.250000  0.083333  1
  Si  Si11  1  0.583333  0.250000  0.416390  1
  Si  Si12  1  0.583333  0.250000  0.750277  1
  Si  Si13  1  0.583333  0.583057  0.083333  1
  Si  Si14  1  0.583473  0.583113  0.416446  1
  Si  Si15  1  0.583194  0.583113  0.750220  1
  Si  Si16  1  0.583333  0.916943  0.083333  1
  Si  Si17  1  0.583194  0.916887  0.416446  1
  Si  Si18  1  0.583473  0.916887  0.750220  1
  Si  Si19  1  0.918962  0.250000  0.083333  1
  Si  Si20  1  0.917196  0.250029  0.415905  1
  Si  Si21  1  0.917196  0.249971  0.750762  1
  Si  Si22  1  0.917197  0.582572  0.083362  1
  Si  Si23  1  0.917048  0.583071  0.416404  1
  Si  Si24  1  0.916765  0.583777  0.749556  1
  Si  Si25  1  0.917197  0.917428  0.083304  1
  Si  Si26  1  0.916765  0.916223  0.417111  1
  Si  Si27  1  0.917048  0.916929  0.750262  1
  Si  Si28  1  0.000813  0.001429  0.000813  1
  Si  Si29  1  -0.000044  -0.001059  0.334392  1
  Si  Si30  1  0.000296  0.000417  0.667129  1
  Si  Si31  1  -0.004482  0.337815  -0.004482  1
  Si  Si32  1  0.000813  0.332520  0.331904  1
  Si  Si33  1  0.000154  0.333180  0.667204  1
  Si  Si34  1  0.000154  0.666129  0.000154  1
  Si  Si35  1  0.000296  0.666204  0.332916  1
  Si  Si36  1  0.000120  0.666799  0.666534  1
  Si  Si37  1  0.334392  -0.001059  -0.000044  1
  Si  Si38  1  0.332997  0.000336  0.332997  1
  Si  Si39  1  0.333185  0.000149  0.666667  1
  Si  Si40  1  0.331904  0.332520  0.000813  1
  Si  Si41  1  0.334392  0.333377  0.334392  1
  Si  Si42  1  0.332916  0.333038  0.667129  1
  Si  Si43  1  0.332916  0.666204  0.000296  1
  Si  Si44  1  0.333185  0.666666  0.333185  1
  Si  Si45  1  0.333059  0.666523  0.666810  1
  Si  Si46  1  0.667129  0.000417  0.000296  1
  Si  Si47  1  0.666667  0.000149  0.333185  1
  Si  Si48  1  0.666810  0.000275  0.666810  1
  Si  Si49  1  0.667204  0.333180  0.000154  1
  Si  Si50  1  0.667129  0.333038  0.332916  1
  Si  Si51  1  0.666534  0.333213  0.666534  1
  Si  Si52  1  0.666534  0.666799  0.000120  1
  Si  Si53  1  0.666810  0.666523  0.333059  1
  Si  Si54  1  0.666787  0.666546  0.666787  1
  Si  Si55  1  0.249632  0.083701  0.249632  1
  Si  Si56  1  0.249646  0.083687  0.583299  1
  Si  Si57  1  0.252989  0.080344  0.913678  1
  Si  Si58  1  0.252989  0.419656  0.252989  1
  Si  Si59  1  0.249646  0.416313  0.583368  1
  Si  Si60  1  0.249632  0.416299  0.917035  1
  Si  Si61  1  0.249646  0.750034  0.249646  1
  Si  Si62  1  0.249618  0.750000  0.583333  1
  Si  Si63  1  0.249646  0.749966  0.917021  1
  Si  Si64  1  0.583299  0.083687  0.249646  1
  Si  Si65  1  0.583333  0.083716  0.583333  1
  Si  Si66  1  0.583368  0.083687  0.917021  1
  Si  Si67  1  0.583368  0.416313  0.249646  1
  Si  Si68  1  0.583333  0.416284  0.583333  1
  Si  Si69  1  0.583299  0.416313  0.917021  1
  Si  Si70  1  0.583333  0.750000  0.249618  1
  Si  Si71  1  0.583333  0.750000  0.583333  1
  Si  Si72  1  0.583333  0.750000  0.917049  1
  Si  Si73  1  0.913678  0.080344  0.252989  1
  Si  Si74  1  0.917021  0.083687  0.583368  1
  Si  Si75  1  0.917035  0.083701  0.917035  1
  Si  Si76  1  0.917035  0.416299  0.249632  1
  Si  Si77  1  0.917021  0.416313  0.583299  1
  Si  Si78  1  0.913678  0.419656  0.913678  1
  Si  Si79  1  0.917021  0.749966  0.249646  1
  Si  Si80  1  0.917049  0.750000  0.583333  1
  Si  Si81  1  0.917021  0.750034  0.917021  1
  Si  Si82  1  -0.004482  0.162185  0.171148  1
  Si  Si83  1  0.000154  0.166820  0.499462  1
  Si  Si84  1  0.000813  0.167479  0.834762  1
  Si  Si85  1  0.000813  0.498571  0.165854  1
  Si  Si86  1  0.000296  0.499582  0.499538  1
  Si  Si87  1  -0.000044  0.501059  0.832275  1
  Si  Si88  1  0.000154  0.833871  0.166513  1
  Si  Si89  1  0.000120  0.833201  0.500133  1
  Si  Si90  1  0.000296  0.833796  0.833750  1
  Si  Si91  1  0.331904  0.167480  0.165854  1
  Si  Si92  1  0.332916  0.166963  0.499538  1
  Si  Si93  1  0.334392  0.166623  0.832275  1
  Si  Si94  1  0.334392  0.501059  0.166710  1
  Si  Si95  1  0.333185  0.499851  0.499999  1
  Si  Si96  1  0.332997  0.499664  0.833669  1
  Si  Si97  1  0.332916  0.833796  0.166371  1
  Si  Si98  1  0.333059  0.833477  0.499857  1
  Si  Si99  1  0.333185  0.833334  0.833482  1
  Si  Si100  1  0.667204  0.166820  0.166513  1
  Si  Si101  1  0.666534  0.166787  0.500133  1
  Si  Si102  1  0.667129  0.166962  0.833750  1
  Si  Si103  1  0.667129  0.499583  0.166371  1
  Si  Si104  1  0.666810  0.499725  0.499857  1
  Si  Si105  1  0.666667  0.499851  0.833482  1
  Si  Si106  1  0.666534  0.833201  0.166547  1
  Si  Si107  1  0.666787  0.833454  0.499879  1
  Si  Si108  1  0.666810  0.833477  0.833608  1
  Si  Si109  1  0.083333  0.250000  0.247705  1
  Si  Si110  1  0.083333  0.250000  0.583333  1
  Si  Si111  1  0.083333  0.250000  0.918962  1
  Si  Si112  1  0.083304  0.582572  0.249470  1
  Si  Si113  1  0.083333  0.583057  0.583333  1
  Si  Si114  1  0.083362  0.582572  0.917197  1
  Si  Si115  1  0.083362  0.917428  0.249470  1
  Si  Si116  1  0.083333  0.916943  0.583333  1
  Si  Si117  1  0.083304  0.917428  0.917197  1
  Si  Si118  1  0.415905  0.249971  0.249470  1
  Si  Si119  1  0.416390  0.250000  0.583333  1
  Si  Si120  1  0.415905  0.250029  0.917196  1
  Si  Si121  1  0.417111  0.583777  0.249901  1
  Si  Si122  1  0.416446  0.583113  0.583473  1
  Si  Si123  1  0.416404  0.583071  0.917048  1
  Si  Si124  1  0.416404  0.916929  0.249619  1
  Si  Si125  1  0.416446  0.916887  0.583194  1
  Si  Si126  1  0.417111  0.916223  0.916765  1
  Si  Si127  1  0.750762  0.250029  0.249470  1
  Si  Si128  1  0.750277  0.250000  0.583333  1
  Si  Si129  1  0.750762  0.249971  0.917196  1
  Si  Si130  1  0.750262  0.583071  0.249619  1
  Si  Si131  1  0.750220  0.583113  0.583194  1
  Si  Si132  1  0.749556  0.583777  0.916765  1
  Si  Si133  1  0.749556  0.916223  0.249901  1
  Si  Si134  1  0.750220  0.916887  0.583473  1
  Si  Si135  1  0.750262  0.916929  0.917048  1
  Si  Si136  1  0.165854  0.001429  0.165854  1
  Si  Si137  1  0.166370  0.000418  0.499538  1
  Si  Si138  1  0.166710  -0.001059  0.832275  1
  Si  Si139  1  0.171148  0.337815  0.171148  1
  Si  Si140  1  0.166513  0.333180  0.499462  1
  Si  Si141  1  0.165854  0.332521  0.834762  1
  Si  Si142  1  0.166513  0.666129  0.166513  1
  Si  Si143  1  0.166547  0.666799  0.500133  1
  Si  Si144  1  0.166371  0.666204  0.833750  1
  Si  Si145  1  0.499538  0.000418  0.166370  1
  Si  Si146  1  0.499857  0.000275  0.499857  1
  Si  Si147  1  0.499999  0.000149  0.833482  1
  Si  Si148  1  0.499462  0.333180  0.166513  1
  Si  Si149  1  0.500133  0.333213  0.500133  1
  Si  Si150  1  0.499538  0.333037  0.833751  1
  Si  Si151  1  0.500133  0.666799  0.166547  1
  Si  Si152  1  0.499879  0.666546  0.499879  1
  Si  Si153  1  0.499857  0.666523  0.833608  1
  Si  Si154  1  0.832275  -0.001059  0.166710  1
  Si  Si155  1  0.833482  0.000149  0.499999  1
  Si  Si156  1  0.833669  0.000336  0.833669  1
  Si  Si157  1  0.834762  0.332521  0.165854  1
  Si  Si158  1  0.833751  0.333037  0.499538  1
  Si  Si159  1  0.832275  0.333377  0.832275  1
  Si  Si160  1  0.833750  0.666204  0.166371  1
  Si  Si161  1  0.833608  0.666523  0.499857  1
  Si  Si162  1  0.833482  0.666666  0.833482  1
  Si  Si163  1  0.083333  0.085628  0.083333  1
  Si  Si164  1  0.083362  0.083864  0.415904  1
  Si  Si165  1  0.083304  0.083863  0.750761  1
  Si  Si166  1  0.083333  0.414372  0.083333  1
  Si  Si167  1  0.083305  0.416136  0.415904  1
  Si  Si168  1  0.083363  0.416137  0.750762  1
  Si  Si169  1  0.083333  0.750000  0.083333  1
  Si  Si170  1  0.083333  0.750000  0.416390  1
  Si  Si171  1  0.083333  0.750000  0.750277  1
  Si  Si172  1  0.415904  0.083864  0.083362  1
  Si  Si173  1  0.416404  0.083715  0.416404  1
  Si  Si174  1  0.417111  0.083432  0.749556  1
  Si  Si175  1  0.415904  0.416136  0.083305  1
  Si  Si176  1  0.417111  0.416568  0.417111  1
  Si  Si177  1  0.416404  0.416285  0.750262  1
  Si  Si178  1  0.416390  0.750000  0.083333  1
  Si  Si179  1  0.416446  0.750139  0.416446  1
  Si  Si180  1  0.416446  0.749861  0.750220  1
  Si  Si181  1  0.750761  0.083863  0.083304  1
  Si  Si182  1  0.749556  0.083432  0.417111  1
  Si  Si183  1  0.750262  0.083715  0.750262  1
  Si  Si184  1  0.750761  0.416137  0.083363  1
  Si  Si185  1  0.750262  0.416285  0.416404  1
  Si  Si186  1  0.749556  0.416568  0.749556  1
  Si  Si187  1  0.750277  0.750000  0.083333  1
  Si  Si188  1  0.750220  0.749861  0.416446  1
  Si  Si189  1  0.750220  0.750139  0.750220  1
  Si  Si190  1  0.171148  0.162185  -0.004482  1
  Si  Si191  1  0.165854  0.167480  0.331904  1
  Si  Si192  1  0.166513  0.166820  0.667204  1
  Si  Si193  1  0.165854  0.498571  0.000813  1
  Si  Si194  1  0.166710  0.501059  0.334392  1
  Si  Si195  1  0.166371  0.499583  0.667129  1
  Si  Si196  1  0.166513  0.833871  0.000154  1
  Si  Si197  1  0.166371  0.833796  0.332916  1
  Si  Si198  1  0.166547  0.833201  0.666534  1
  Si  Si199  1  0.499462  0.166820  0.000154  1
  Si  Si200  1  0.499538  0.166963  0.332916  1
  Si  Si201  1  0.500133  0.166787  0.666534  1
  Si  Si202  1  0.499538  0.499582  0.000296  1
  Si  Si203  1  0.499999  0.499851  0.333185  1
  Si  Si204  1  0.499857  0.499725  0.666810  1
  Si  Si205  1  0.500133  0.833201  0.000120  1
  Si  Si206  1  0.499857  0.833477  0.333059  1
  Si  Si207  1  0.499879  0.833454  0.666787  1
  Si  Si208  1  0.834762  0.167479  0.000813  1
  Si  Si209  1  0.832275  0.166623  0.334392  1
  Si  Si210  1  0.833751  0.166963  0.667129  1
  Si  Si211  1  0.832275  0.501059  -0.000044  1
  Si  Si212  1  0.833669  0.499664  0.332997  1
  Si  Si213  1  0.833482  0.499851  0.666667  1
  Si  Si214  1  0.833750  0.833796  0.000296  1
  Si  Si215  1  0.833482  0.833334  0.333185  1
  Si  Si216  1  0.833608  0.833477  0.666810  1
  Ir  Ir217  1  0.083333  0.250000  0.083333  1
