# 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  0.248119  0.250000  0.083333  1
  Si  Si2  1  0.249544  0.249992  0.416042  1
  Si  Si3  1  0.249544  0.250008  0.750624  1
  Si  Si4  1  0.249545  0.582709  0.083325  1
  Si  Si5  1  0.249964  0.583808  0.417142  1
  Si  Si6  1  0.249692  0.583133  0.750200  1
  Si  Si7  1  0.249545  0.917291  0.083341  1
  Si  Si8  1  0.249692  0.916867  0.416466  1
  Si  Si9  1  0.249964  0.916192  0.749525  1
  Si  Si10  1  0.583333  0.250000  0.083333  1
  Si  Si11  1  0.583333  0.250000  0.416414  1
  Si  Si12  1  0.583333  0.250000  0.750252  1
  Si  Si13  1  0.583333  0.583081  0.083333  1
  Si  Si14  1  0.583461  0.583173  0.416509  1
  Si  Si15  1  0.583206  0.583174  0.750159  1
  Si  Si16  1  0.583333  0.916919  0.083333  1
  Si  Si17  1  0.583206  0.916827  0.416509  1
  Si  Si18  1  0.583461  0.916827  0.750158  1
  Si  Si19  1  0.918548  0.250000  0.083333  1
  Si  Si20  1  0.917122  0.250008  0.416042  1
  Si  Si21  1  0.917122  0.249992  0.750625  1
  Si  Si22  1  0.917122  0.582709  0.083341  1
  Si  Si23  1  0.916975  0.583132  0.416466  1
  Si  Si24  1  0.916703  0.583808  0.749525  1
  Si  Si25  1  0.917122  0.917291  0.083325  1
  Si  Si26  1  0.916703  0.916192  0.417142  1
  Si  Si27  1  0.916975  0.916868  0.750200  1
  Si  Si28  1  0.000627  0.001395  0.000627  1
  Si  Si29  1  0.000013  -0.000933  0.334267  1
  Si  Si30  1  0.000247  0.000376  0.667008  1
  Si  Si31  1  -0.004357  0.337690  -0.004357  1
  Si  Si32  1  0.000627  0.332706  0.331938  1
  Si  Si33  1  0.000095  0.333238  0.667010  1
  Si  Si34  1  0.000095  0.666324  0.000095  1
  Si  Si35  1  0.000248  0.666324  0.332958  1
  Si  Si36  1  0.000097  0.666814  0.666520  1
  Si  Si37  1  0.334267  -0.000933  0.000013  1
  Si  Si38  1  0.333100  0.000234  0.333100  1
  Si  Si39  1  0.333239  0.000096  0.666597  1
  Si  Si40  1  0.331938  0.332706  0.000627  1
  Si  Si41  1  0.334266  0.333320  0.334266  1
  Si  Si42  1  0.332957  0.333085  0.667009  1
  Si  Si43  1  0.332957  0.666325  0.000247  1
  Si  Si44  1  0.333238  0.666738  0.333238  1
  Si  Si45  1  0.333112  0.666553  0.666781  1
  Si  Si46  1  0.667008  0.000376  0.000247  1
  Si  Si47  1  0.666597  0.000096  0.333239  1
  Si  Si48  1  0.666780  0.000228  0.666780  1
  Si  Si49  1  0.667010  0.333238  0.000095  1
  Si  Si50  1  0.667009  0.333085  0.332957  1
  Si  Si51  1  0.666520  0.333236  0.666520  1
  Si  Si52  1  0.666520  0.666814  0.000097  1
  Si  Si53  1  0.666781  0.666553  0.333112  1
  Si  Si54  1  0.666756  0.666577  0.666756  1
  Si  Si55  1  0.249766  0.083567  0.249766  1
  Si  Si56  1  0.249729  0.083604  0.583314  1
  Si  Si57  1  0.252729  0.080604  0.913937  1
  Si  Si58  1  0.252729  0.419396  0.252729  1
  Si  Si59  1  0.249729  0.416396  0.583353  1
  Si  Si60  1  0.249766  0.416433  0.916901  1
  Si  Si61  1  0.249729  0.750019  0.249729  1
  Si  Si62  1  0.249728  0.750000  0.583334  1
  Si  Si63  1  0.249726  0.749981  0.916935  1
  Si  Si64  1  0.583314  0.083604  0.249729  1
  Si  Si65  1  0.583333  0.083610  0.583333  1
  Si  Si66  1  0.583352  0.083607  0.916935  1
  Si  Si67  1  0.583353  0.416396  0.249729  1
  Si  Si68  1  0.583333  0.416391  0.583334  1
  Si  Si69  1  0.583314  0.416393  0.916935  1
  Si  Si70  1  0.583334  0.750000  0.249728  1
  Si  Si71  1  0.583333  0.750000  0.583333  1
  Si  Si72  1  0.583334  0.750001  0.916941  1
  Si  Si73  1  0.913937  0.080604  0.252729  1
  Si  Si74  1  0.916935  0.083607  0.583353  1
  Si  Si75  1  0.916901  0.083567  0.916901  1
  Si  Si76  1  0.916901  0.416433  0.249766  1
  Si  Si77  1  0.916935  0.416393  0.583314  1
  Si  Si78  1  0.913937  0.419396  0.913937  1
  Si  Si79  1  0.916938  0.749981  0.249729  1
  Si  Si80  1  0.916940  0.750000  0.583334  1
  Si  Si81  1  0.916940  0.750019  0.916935  1
  Si  Si82  1  -0.004357  0.162310  0.171023  1
  Si  Si83  1  0.000095  0.166762  0.499657  1
  Si  Si84  1  0.000627  0.167294  0.834729  1
  Si  Si85  1  0.000627  0.498605  0.166039  1
  Si  Si86  1  0.000247  0.499623  0.499658  1
  Si  Si87  1  0.000012  0.500933  0.832400  1
  Si  Si88  1  0.000095  0.833676  0.166571  1
  Si  Si89  1  0.000097  0.833186  0.500147  1
  Si  Si90  1  0.000249  0.833677  0.833708  1
  Si  Si91  1  0.331938  0.167294  0.166039  1
  Si  Si92  1  0.332957  0.166915  0.499657  1
  Si  Si93  1  0.334266  0.166680  0.832400  1
  Si  Si94  1  0.334267  0.500933  0.166654  1
  Si  Si95  1  0.333240  0.499905  0.500070  1
  Si  Si96  1  0.333099  0.499766  0.833567  1
  Si  Si97  1  0.332958  0.833676  0.166419  1
  Si  Si98  1  0.333111  0.833448  0.499887  1
  Si  Si99  1  0.333239  0.833264  0.833427  1
  Si  Si100  1  0.667010  0.166762  0.166571  1
  Si  Si101  1  0.666520  0.166764  0.500146  1
  Si  Si102  1  0.667010  0.166916  0.833708  1
  Si  Si103  1  0.667009  0.499625  0.166419  1
  Si  Si104  1  0.666780  0.499773  0.499887  1
  Si  Si105  1  0.666599  0.499905  0.833428  1
  Si  Si106  1  0.666520  0.833186  0.166570  1
  Si  Si107  1  0.666756  0.833424  0.499911  1
  Si  Si108  1  0.666780  0.833448  0.833556  1
  Si  Si109  1  0.083333  0.250000  0.248119  1
  Si  Si110  1  0.083333  0.250000  0.583333  1
  Si  Si111  1  0.083333  0.250000  0.918548  1
  Si  Si112  1  0.083325  0.582709  0.249545  1
  Si  Si113  1  0.083333  0.583081  0.583333  1
  Si  Si114  1  0.083341  0.582709  0.917122  1
  Si  Si115  1  0.083341  0.917291  0.249545  1
  Si  Si116  1  0.083333  0.916919  0.583333  1
  Si  Si117  1  0.083325  0.917291  0.917122  1
  Si  Si118  1  0.416042  0.249992  0.249544  1
  Si  Si119  1  0.416414  0.250000  0.583333  1
  Si  Si120  1  0.416042  0.250008  0.917122  1
  Si  Si121  1  0.417141  0.583808  0.249964  1
  Si  Si122  1  0.416509  0.583173  0.583462  1
  Si  Si123  1  0.416465  0.583132  0.916976  1
  Si  Si124  1  0.416466  0.916867  0.249692  1
  Si  Si125  1  0.416509  0.916827  0.583206  1
  Si  Si126  1  0.417141  0.916192  0.916703  1
  Si  Si127  1  0.750624  0.250008  0.249544  1
  Si  Si128  1  0.750252  0.250000  0.583333  1
  Si  Si129  1  0.750625  0.249992  0.917122  1
  Si  Si130  1  0.750201  0.583133  0.249692  1
  Si  Si131  1  0.750157  0.583173  0.583206  1
  Si  Si132  1  0.749525  0.583808  0.916703  1
  Si  Si133  1  0.749525  0.916192  0.249964  1
  Si  Si134  1  0.750158  0.916827  0.583461  1
  Si  Si135  1  0.750201  0.916868  0.916975  1
  Si  Si136  1  0.166039  0.001395  0.166039  1
  Si  Si137  1  0.166419  0.000375  0.499657  1
  Si  Si138  1  0.166654  -0.000933  0.832400  1
  Si  Si139  1  0.171023  0.337690  0.171023  1
  Si  Si140  1  0.166571  0.333238  0.499657  1
  Si  Si141  1  0.166039  0.332706  0.834728  1
  Si  Si142  1  0.166571  0.666324  0.166571  1
  Si  Si143  1  0.166570  0.666814  0.500147  1
  Si  Si144  1  0.166418  0.666323  0.833708  1
  Si  Si145  1  0.499657  0.000375  0.166419  1
  Si  Si146  1  0.499887  0.000227  0.499887  1
  Si  Si147  1  0.500070  0.000096  0.833427  1
  Si  Si148  1  0.499657  0.333238  0.166571  1
  Si  Si149  1  0.500146  0.333236  0.500147  1
  Si  Si150  1  0.499657  0.333084  0.833708  1
  Si  Si151  1  0.500147  0.666814  0.166570  1
  Si  Si152  1  0.499911  0.666576  0.499911  1
  Si  Si153  1  0.499888  0.666552  0.833559  1
  Si  Si154  1  0.832400  -0.000934  0.166654  1
  Si  Si155  1  0.833427  0.000095  0.500069  1
  Si  Si156  1  0.833567  0.000234  0.833567  1
  Si  Si157  1  0.834728  0.332706  0.166039  1
  Si  Si158  1  0.833708  0.333084  0.499657  1
  Si  Si159  1  0.832400  0.333320  0.832400  1
  Si  Si160  1  0.833709  0.666324  0.166419  1
  Si  Si161  1  0.833557  0.666551  0.499889  1
  Si  Si162  1  0.833428  0.666735  0.833427  1
  Si  Si163  1  0.083333  0.085215  0.083333  1
  Si  Si164  1  0.083341  0.083789  0.416042  1
  Si  Si165  1  0.083325  0.083788  0.750624  1
  Si  Si166  1  0.083333  0.414785  0.083333  1
  Si  Si167  1  0.083325  0.416211  0.416042  1
  Si  Si168  1  0.083341  0.416212  0.750624  1
  Si  Si169  1  0.083333  0.750000  0.083333  1
  Si  Si170  1  0.083334  0.750000  0.416415  1
  Si  Si171  1  0.083334  0.750000  0.750252  1
  Si  Si172  1  0.416042  0.083789  0.083341  1
  Si  Si173  1  0.416465  0.083643  0.416465  1
  Si  Si174  1  0.417141  0.083370  0.749525  1
  Si  Si175  1  0.416042  0.416211  0.083325  1
  Si  Si176  1  0.417141  0.416630  0.417141  1
  Si  Si177  1  0.416465  0.416358  0.750201  1
  Si  Si178  1  0.416414  0.750000  0.083333  1
  Si  Si179  1  0.416508  0.750128  0.416508  1
  Si  Si180  1  0.416510  0.749872  0.750160  1
  Si  Si181  1  0.750624  0.083788  0.083325  1
  Si  Si182  1  0.749525  0.083370  0.417141  1
  Si  Si183  1  0.750202  0.083643  0.750202  1
  Si  Si184  1  0.750624  0.416212  0.083341  1
  Si  Si185  1  0.750201  0.416357  0.416465  1
  Si  Si186  1  0.749525  0.416630  0.749526  1
  Si  Si187  1  0.750253  0.750000  0.083333  1
  Si  Si188  1  0.750160  0.749872  0.416510  1
  Si  Si189  1  0.750159  0.750128  0.750158  1
  Si  Si190  1  0.171023  0.162310  -0.004357  1
  Si  Si191  1  0.166039  0.167294  0.331938  1
  Si  Si192  1  0.166571  0.166762  0.667010  1
  Si  Si193  1  0.166039  0.498605  0.000627  1
  Si  Si194  1  0.166654  0.500933  0.334267  1
  Si  Si195  1  0.166419  0.499625  0.667009  1
  Si  Si196  1  0.166571  0.833676  0.000095  1
  Si  Si197  1  0.166419  0.833676  0.332958  1
  Si  Si198  1  0.166570  0.833186  0.666520  1
  Si  Si199  1  0.499657  0.166762  0.000095  1
  Si  Si200  1  0.499657  0.166915  0.332958  1
  Si  Si201  1  0.500146  0.166764  0.666520  1
  Si  Si202  1  0.499658  0.499623  0.000247  1
  Si  Si203  1  0.500070  0.499905  0.333239  1
  Si  Si204  1  0.499888  0.499775  0.666782  1
  Si  Si205  1  0.500147  0.833187  0.000097  1
  Si  Si206  1  0.499887  0.833448  0.333111  1
  Si  Si207  1  0.499911  0.833424  0.666756  1
  Si  Si208  1  0.834729  0.167294  0.000627  1
  Si  Si209  1  0.832400  0.166680  0.334266  1
  Si  Si210  1  0.833708  0.166916  0.667010  1
  Si  Si211  1  0.832400  0.500933  0.000013  1
  Si  Si212  1  0.833567  0.499766  0.333099  1
  Si  Si213  1  0.833427  0.499904  0.666597  1
  Si  Si214  1  0.833710  0.833675  0.000247  1
  Si  Si215  1  0.833429  0.833263  0.333240  1
  Si  Si216  1  0.833556  0.833448  0.666780  1
  Ir  Ir217  1  0.083333  0.250000  0.083333  1
