# 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  0.253531  0.249349  0.082682  1
  Si  Si2  1  0.250360  0.250044  0.416878  1
  Si  Si3  1  0.250955  0.249493  0.749042  1
  Si  Si4  1  0.250362  0.583547  0.083377  1
  Si  Si5  1  0.249969  0.583922  0.417255  1
  Si  Si6  1  0.249921  0.583180  0.749978  1
  Si  Si7  1  0.250955  0.915708  0.082825  1
  Si  Si8  1  0.249921  0.916645  0.416513  1
  Si  Si9  1  0.250106  0.916891  0.750223  1
  Si  Si10  1  0.583154  0.249861  0.083195  1
  Si  Si11  1  0.582933  0.250031  0.417189  1
  Si  Si12  1  0.583366  0.250059  0.749673  1
  Si  Si13  1  0.582932  0.583856  0.083364  1
  Si  Si14  1  0.583272  0.583625  0.416961  1
  Si  Si15  1  0.583221  0.583518  0.750068  1
  Si  Si16  1  0.583365  0.916338  0.083391  1
  Si  Si17  1  0.583220  0.916737  0.416849  1
  Si  Si18  1  0.583304  0.916732  0.750054  1
  Si  Si19  1  0.908223  0.249543  0.082838  1
  Si  Si20  1  0.915633  0.250284  0.418730  1
  Si  Si21  1  0.916599  0.250202  0.749742  1
  Si  Si22  1  0.915632  0.585399  0.083616  1
  Si  Si23  1  0.916283  0.583099  0.416432  1
  Si  Si24  1  0.916423  0.583691  0.749828  1
  Si  Si25  1  0.916599  0.916409  0.083535  1
  Si  Si26  1  0.916422  0.916499  0.417021  1
  Si  Si27  1  0.916704  0.916242  0.749575  1
  Si  Si28  1  0.000308  0.997866  0.998940  1
  Si  Si29  1  0.000031  0.999734  0.333629  1
  Si  Si30  1  0.000062  0.999446  0.666231  1
  Si  Si31  1  0.999569  0.333787  0.991505  1
  Si  Si32  1  0.999391  0.333942  0.336815  1
  Si  Si33  1  0.999905  0.333429  0.666402  1
  Si  Si34  1  0.000177  0.666841  0.999885  1
  Si  Si35  1  0.999527  0.667569  0.334263  1
  Si  Si36  1  0.999984  0.666901  0.666613  1
  Si  Si37  1  0.333112  0.000222  0.999638  1
  Si  Si38  1  0.333946  0.999388  0.333279  1
  Si  Si39  1  0.333504  0.999828  0.666683  1
  Si  Si40  1  0.335469  0.333026  0.998939  1
  Si  Si41  1  0.333600  0.333302  0.333630  1
  Si  Si42  1  0.333888  0.333271  0.666231  1
  Si  Si43  1  0.333684  0.666824  0.999823  1
  Si  Si44  1  0.333266  0.666739  0.333360  1
  Si  Si45  1  0.333334  0.666695  0.666708  1
  Si  Si46  1  0.666511  0.999651  0.999823  1
  Si  Si47  1  0.666595  0.000067  0.333360  1
  Si  Si48  1  0.666639  0.000001  0.666708  1
  Si  Si49  1  0.666492  0.333157  0.999884  1
  Si  Si50  1  0.665764  0.333807  0.334263  1
  Si  Si51  1  0.666432  0.333350  0.666613  1
  Si  Si52  1  0.666268  0.667066  0.000005  1
  Si  Si53  1  0.666870  0.666464  0.333497  1
  Si  Si54  1  0.666561  0.666773  0.666718  1
  Si  Si55  1  0.251305  0.082028  0.248482  1
  Si  Si56  1  0.250279  0.083054  0.583172  1
  Si  Si57  1  0.248911  0.084422  0.917755  1
  Si  Si58  1  0.249913  0.419201  0.252523  1
  Si  Si59  1  0.250137  0.416611  0.583484  1
  Si  Si60  1  0.251306  0.415149  0.915360  1
  Si  Si61  1  0.250137  0.750152  0.249944  1
  Si  Si62  1  0.250036  0.750308  0.583641  1
  Si  Si63  1  0.250281  0.749842  0.916386  1
  Si  Si64  1  0.583181  0.083196  0.249944  1
  Si  Si65  1  0.583024  0.083296  0.583641  1
  Si  Si66  1  0.583491  0.083052  0.916385  1
  Si  Si67  1  0.582937  0.417055  0.250388  1
  Si  Si68  1  0.583490  0.416974  0.583170  1
  Si  Si69  1  0.583181  0.416611  0.916529  1
  Si  Si70  1  0.583493  0.749838  0.250306  1
  Si  Si71  1  0.583143  0.750189  0.583522  1
  Si  Si72  1  0.583024  0.750309  0.916628  1
  Si  Si73  1  0.914126  0.083416  0.252522  1
  Si  Si74  1  0.916722  0.083196  0.583484  1
  Si  Si75  1  0.918184  0.082027  0.915359  1
  Si  Si76  1  0.918319  0.415014  0.248346  1
  Si  Si77  1  0.916278  0.417055  0.583729  1
  Si  Si78  1  0.914127  0.419200  0.916743  1
  Si  Si79  1  0.916278  0.750396  0.250388  1
  Si  Si80  1  0.916359  0.749843  0.583170  1
  Si  Si81  1  0.916722  0.750151  0.916529  1
  Si  Si82  1  0.999596  0.158177  0.167134  1
  Si  Si83  1  0.000177  0.166551  0.500175  1
  Si  Si84  1  0.000311  0.165607  0.831201  1
  Si  Si85  1  0.999390  0.503480  0.167277  1
  Si  Si86  1  0.999528  0.500930  0.500903  1
  Si  Si87  1  0.000030  0.500297  0.833067  1
  Si  Si88  1  0.999905  0.833069  0.166762  1
  Si  Si89  1  0.999986  0.833282  0.500232  1
  Si  Si90  1  0.000062  0.832898  0.832780  1
  Si  Si91  1  0.335470  0.165605  0.166359  1
  Si  Si92  1  0.333685  0.166489  0.500158  1
  Si  Si93  1  0.333111  0.166305  0.833556  1
  Si  Si94  1  0.333604  0.500300  0.166636  1
  Si  Si95  1  0.333266  0.500026  0.500073  1
  Si  Si96  1  0.333946  0.499945  0.832722  1
  Si  Si97  1  0.333888  0.832897  0.166605  1
  Si  Si98  1  0.333334  0.833374  0.500028  1
  Si  Si99  1  0.333504  0.833349  0.833161  1
  Si  Si100  1  0.666492  0.166550  0.166491  1
  Si  Si101  1  0.666269  0.166671  0.500399  1
  Si  Si102  1  0.666513  0.166488  0.832987  1
  Si  Si103  1  0.665764  0.500930  0.167140  1
  Si  Si104  1  0.666870  0.500162  0.499798  1
  Si  Si105  1  0.666596  0.500025  0.833401  1
  Si  Si106  1  0.666433  0.833280  0.166684  1
  Si  Si107  1  0.666561  0.833384  0.500107  1
  Si  Si108  1  0.666637  0.833377  0.833332  1
  Si  Si109  1  0.083809  0.249503  0.258453  1
  Si  Si110  1  0.083472  0.249862  0.583512  1
  Si  Si111  1  0.083983  0.249350  0.913134  1
  Si  Si112  1  0.083051  0.585397  0.251033  1
  Si  Si113  1  0.083302  0.583855  0.583734  1
  Si  Si114  1  0.083288  0.583541  0.916310  1
  Si  Si115  1  0.083131  0.916409  0.250067  1
  Si  Si116  1  0.083274  0.916338  0.583302  1
  Si  Si117  1  0.083841  0.915709  0.915713  1
  Si  Si118  1  0.416924  0.250202  0.250067  1
  Si  Si119  1  0.416996  0.250058  0.583302  1
  Si  Si120  1  0.417625  0.249492  0.915713  1
  Si  Si121  1  0.416837  0.583689  0.250242  1
  Si  Si122  1  0.416598  0.583517  0.583445  1
  Si  Si123  1  0.416689  0.583180  0.916745  1
  Si  Si124  1  0.417091  0.916242  0.249963  1
  Si  Si125  1  0.416601  0.916721  0.583362  1
  Si  Si126  1  0.416444  0.916889  0.916558  1
  Si  Si127  1  0.747935  0.250281  0.251034  1
  Si  Si128  1  0.749478  0.250031  0.583735  1
  Si  Si129  1  0.749791  0.250045  0.916309  1
  Si  Si130  1  0.750234  0.583099  0.250384  1
  Si  Si131  1  0.749709  0.583627  0.583396  1
  Si  Si132  1  0.749411  0.583922  0.916698  1
  Si  Si133  1  0.749643  0.916493  0.250240  1
  Si  Si134  1  0.749816  0.916735  0.583445  1
  Si  Si135  1  0.750153  0.916644  0.916745  1
  Si  Si136  1  0.167728  0.997864  0.166358  1
  Si  Si137  1  0.166845  0.999650  0.500157  1
  Si  Si138  1  0.167028  0.000223  0.833557  1
  Si  Si139  1  0.175153  0.333745  0.167120  1
  Si  Si140  1  0.166783  0.333157  0.500176  1
  Si  Si141  1  0.167727  0.333023  0.831200  1
  Si  Si142  1  0.166783  0.666842  0.166491  1
  Si  Si143  1  0.166663  0.667065  0.500399  1
  Si  Si144  1  0.166846  0.666820  0.832986  1
  Si  Si145  1  0.500436  0.999446  0.166605  1
  Si  Si146  1  0.499957  0.999997  0.500030  1
  Si  Si147  1  0.499984  0.999829  0.833161  1
  Si  Si148  1  0.500265  0.333429  0.166762  1
  Si  Si149  1  0.500051  0.333348  0.500232  1
  Si  Si150  1  0.500436  0.333271  0.832780  1
  Si  Si151  1  0.500052  0.666899  0.166683  1
  Si  Si152  1  0.499950  0.666773  0.500107  1
  Si  Si153  1  0.499957  0.666696  0.833332  1
  Si  Si154  1  0.833032  0.999728  0.166637  1
  Si  Si155  1  0.833308  0.000067  0.500073  1
  Si  Si156  1  0.833388  0.999388  0.832722  1
  Si  Si157  1  0.829854  0.333944  0.167277  1
  Si  Si158  1  0.832404  0.333806  0.500903  1
  Si  Si159  1  0.833035  0.333304  0.833065  1
  Si  Si160  1  0.832403  0.667569  0.167140  1
  Si  Si161  1  0.833172  0.666463  0.499797  1
  Si  Si162  1  0.833308  0.666738  0.833401  1
  Si  Si163  1  0.083985  0.079801  0.082683  1
  Si  Si164  1  0.083289  0.082976  0.416875  1
  Si  Si165  1  0.083840  0.082379  0.749042  1
  Si  Si166  1  0.083782  0.425114  0.082823  1
  Si  Si167  1  0.083050  0.417700  0.418730  1
  Si  Si168  1  0.083131  0.416734  0.749742  1
  Si  Si169  1  0.083472  0.750179  0.083195  1
  Si  Si170  1  0.083302  0.750401  0.417188  1
  Si  Si171  1  0.083274  0.749968  0.749672  1
  Si  Si172  1  0.417625  0.082379  0.082825  1
  Si  Si173  1  0.416688  0.083412  0.416514  1
  Si  Si174  1  0.416443  0.083226  0.750223  1
  Si  Si175  1  0.416925  0.416734  0.083536  1
  Si  Si176  1  0.416834  0.416911  0.417020  1
  Si  Si177  1  0.417091  0.416629  0.749575  1
  Si  Si178  1  0.416996  0.749969  0.083391  1
  Si  Si179  1  0.416597  0.750113  0.416848  1
  Si  Si180  1  0.416601  0.750029  0.750054  1
  Si  Si181  1  0.749787  0.082973  0.083378  1
  Si  Si182  1  0.749411  0.083365  0.417255  1
  Si  Si183  1  0.750153  0.083412  0.749977  1
  Si  Si184  1  0.747934  0.417701  0.083615  1
  Si  Si185  1  0.750234  0.417050  0.416432  1
  Si  Si186  1  0.749642  0.416909  0.749827  1
  Si  Si187  1  0.749477  0.750402  0.083364  1
  Si  Si188  1  0.749709  0.750062  0.416960  1
  Si  Si189  1  0.749815  0.750112  0.750068  1
  Si  Si190  1  0.165026  0.168308  0.001642  1
  Si  Si191  1  0.169268  0.164072  0.333225  1
  Si  Si192  1  0.167059  0.166275  0.666232  1
  Si  Si193  1  0.169270  0.499886  0.997418  1
  Si  Si194  1  0.165194  0.501267  0.334602  1
  Si  Si195  1  0.166614  0.500053  0.666500  1
  Si  Si196  1  0.167060  0.832897  0.999608  1
  Si  Si197  1  0.166614  0.833165  0.333388  1
  Si  Si198  1  0.166857  0.833495  0.666832  1
  Si  Si199  1  0.500437  0.166274  0.999608  1
  Si  Si200  1  0.500169  0.166719  0.333388  1
  Si  Si201  1  0.499839  0.166477  0.666833  1
  Si  Si202  1  0.500169  0.500054  0.000054  1
  Si  Si203  1  0.499894  0.500299  0.333633  1
  Si  Si204  1  0.500252  0.500125  0.666416  1
  Si  Si205  1  0.499838  0.833496  0.999811  1
  Si  Si206  1  0.500252  0.833082  0.333459  1
  Si  Si207  1  0.499984  0.833350  0.666684  1
  Si  Si208  1  0.833452  0.164071  0.997417  1
  Si  Si209  1  0.832067  0.168140  0.334602  1
  Si  Si210  1  0.833281  0.166720  0.666500  1
  Si  Si211  1  0.832066  0.501268  0.001476  1
  Si  Si212  1  0.834428  0.498906  0.332240  1
  Si  Si213  1  0.833036  0.500297  0.666774  1
  Si  Si214  1  0.833280  0.833165  0.000054  1
  Si  Si215  1  0.833035  0.833440  0.333632  1
  Si  Si216  1  0.833209  0.833082  0.666416  1
  Ir  Ir217  1  0.041689  0.291645  0.124977  1