# generated using pymatgen
data_Si216Se
_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   Si216Se
_chemical_formula_sum   'Si216 Se1'
_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  0.249948  0.251492  0.084276  1
  Si  Si2  1  0.256794  0.251897  0.423047  1
  Si  Si3  1  0.250177  0.250079  0.750455  1
  Si  Si4  1  0.250786  0.583782  0.083436  1
  Si  Si5  1  0.251080  0.584968  0.417677  1
  Si  Si6  1  0.250558  0.583596  0.750405  1
  Si  Si7  1  0.248984  0.917289  0.083068  1
  Si  Si8  1  0.249982  0.917511  0.416072  1
  Si  Si9  1  0.250452  0.916476  0.749334  1
  Si  Si10  1  0.583101  0.249964  0.082922  1
  Si  Si11  1  0.583468  0.250154  0.416923  1
  Si  Si12  1  0.582920  0.250190  0.749169  1
  Si  Si13  1  0.583654  0.583447  0.083093  1
  Si  Si14  1  0.584501  0.584084  0.417017  1
  Si  Si15  1  0.583820  0.583289  0.749968  1
  Si  Si16  1  0.582377  0.916351  0.082964  1
  Si  Si17  1  0.583468  0.916829  0.416033  1
  Si  Si18  1  0.583197  0.916488  0.749577  1
  Si  Si19  1  0.907013  0.247696  0.076240  1
  Si  Si20  1  0.916660  0.249470  0.417418  1
  Si  Si21  1  0.916796  0.249685  0.749835  1
  Si  Si22  1  0.916711  0.583103  0.083222  1
  Si  Si23  1  0.917221  0.583131  0.416318  1
  Si  Si24  1  0.917285  0.582319  0.750365  1
  Si  Si25  1  0.915692  0.914512  0.081630  1
  Si  Si26  1  0.917244  0.916773  0.416619  1
  Si  Si27  1  0.916297  0.915588  0.748482  1
  Si  Si28  1  0.996801  0.990077  0.989290  1
  Si  Si29  1  0.001584  0.999540  0.333527  1
  Si  Si30  1  0.999987  0.999676  0.666267  1
  Si  Si31  1  0.001152  0.330268  0.002982  1
  Si  Si32  1  0.996922  0.339955  0.339288  1
  Si  Si33  1  0.000350  0.333366  0.666962  1
  Si  Si34  1  0.000108  0.666142  0.999703  1
  Si  Si35  1  0.000367  0.666843  0.333246  1
  Si  Si36  1  0.000013  0.665630  0.666317  1
  Si  Si37  1  0.332892  0.000059  0.999665  1
  Si  Si38  1  0.331391  0.001845  0.331892  1
  Si  Si39  1  0.333691  0.000027  0.666393  1
  Si  Si40  1  0.334131  0.333543  0.000218  1
  Si  Si41  1  0.336473  0.334885  0.335108  1
  Si  Si42  1  0.333791  0.333587  0.667458  1
  Si  Si43  1  0.333633  0.666752  0.999702  1
  Si  Si44  1  0.334184  0.667780  0.333393  1
  Si  Si45  1  0.333562  0.666952  0.666624  1
  Si  Si46  1  0.665591  0.999037  0.999197  1
  Si  Si47  1  0.666676  0.999919  0.332546  1
  Si  Si48  1  0.666058  0.999443  0.665339  1
  Si  Si49  1  0.666547  0.332905  0.999315  1
  Si  Si50  1  0.666647  0.333420  0.333532  1
  Si  Si51  1  0.667431  0.333342  0.667033  1
  Si  Si52  1  0.666806  0.665854  0.999374  1
  Si  Si53  1  0.667037  0.667355  0.333040  1
  Si  Si54  1  0.666856  0.666497  0.666263  1
  Si  Si55  1  0.246991  0.086381  0.248863  1
  Si  Si56  1  0.250633  0.083732  0.583479  1
  Si  Si57  1  0.249816  0.083069  0.915914  1
  Si  Si58  1  0.260689  0.426522  0.253229  1
  Si  Si59  1  0.250817  0.417607  0.584414  1
  Si  Si60  1  0.250361  0.416551  0.917162  1
  Si  Si61  1  0.250305  0.750468  0.249881  1
  Si  Si62  1  0.250618  0.750793  0.583269  1
  Si  Si63  1  0.250361  0.749815  0.916396  1
  Si  Si64  1  0.582987  0.083302  0.249612  1
  Si  Si65  1  0.582972  0.083308  0.582604  1
  Si  Si66  1  0.582554  0.083062  0.916224  1
  Si  Si67  1  0.583749  0.416980  0.250020  1
  Si  Si68  1  0.584679  0.417211  0.583965  1
  Si  Si69  1  0.583657  0.416617  0.916260  1
  Si  Si70  1  0.583690  0.751056  0.249999  1
  Si  Si71  1  0.583751  0.750211  0.583083  1
  Si  Si72  1  0.583399  0.749641  0.916445  1
  Si  Si73  1  0.910687  0.076694  0.252998  1
  Si  Si74  1  0.916427  0.083196  0.583385  1
  Si  Si75  1  0.914923  0.081729  0.913522  1
  Si  Si76  1  0.916428  0.417126  0.248411  1
  Si  Si77  1  0.917433  0.416747  0.583262  1
  Si  Si78  1  0.918099  0.414806  0.918573  1
  Si  Si79  1  0.916801  0.749803  0.249621  1
  Si  Si80  1  0.916963  0.749339  0.582962  1
  Si  Si81  1  0.916592  0.748830  0.915841  1
  Si  Si82  1  0.970179  0.137823  0.141107  1
  Si  Si83  1  0.000134  0.166981  0.500979  1
  Si  Si84  1  0.999870  0.166064  0.832894  1
  Si  Si85  1  0.000676  0.500730  0.166768  1
  Si  Si86  1  0.000777  0.502145  0.501886  1
  Si  Si87  1  0.000277  0.498896  0.834345  1
  Si  Si88  1  0.999825  0.832834  0.165865  1
  Si  Si89  1  0.000230  0.833178  0.500059  1
  Si  Si90  1  0.999296  0.829493  0.829329  1
  Si  Si91  1  0.333141  0.167924  0.166691  1
  Si  Si92  1  0.337661  0.166795  0.503651  1
  Si  Si93  1  0.333561  0.166510  0.833200  1
  Si  Si94  1  0.339813  0.505960  0.166021  1
  Si  Si95  1  0.334072  0.500605  0.500446  1
  Si  Si96  1  0.333500  0.500082  0.833709  1
  Si  Si97  1  0.332890  0.834017  0.166147  1
  Si  Si98  1  0.333486  0.834240  0.499592  1
  Si  Si99  1  0.333340  0.833241  0.832992  1
  Si  Si100  1  0.666218  0.166263  0.165998  1
  Si  Si101  1  0.666687  0.166696  0.499982  1
  Si  Si102  1  0.664439  0.165822  0.830935  1
  Si  Si103  1  0.666871  0.499977  0.166352  1
  Si  Si104  1  0.667632  0.500351  0.500106  1
  Si  Si105  1  0.667167  0.499582  0.832980  1
  Si  Si106  1  0.665781  0.832561  0.165737  1
  Si  Si107  1  0.666719  0.833201  0.499106  1
  Si  Si108  1  0.666423  0.832769  0.832682  1
  Si  Si109  1  0.108873  0.278842  0.279860  1
  Si  Si110  1  0.083955  0.250391  0.583753  1
  Si  Si111  1  0.083343  0.248721  0.916867  1
  Si  Si112  1  0.084143  0.583824  0.250222  1
  Si  Si113  1  0.084307  0.584120  0.584256  1
  Si  Si114  1  0.083850  0.582618  0.917099  1
  Si  Si115  1  0.083275  0.915890  0.249351  1
  Si  Si116  1  0.083681  0.916673  0.583140  1
  Si  Si117  1  0.083986  0.910628  0.910160  1
  Si  Si118  1  0.417130  0.250557  0.250179  1
  Si  Si119  1  0.419052  0.250832  0.585556  1
  Si  Si120  1  0.416833  0.250107  0.916423  1
  Si  Si121  1  0.420687  0.587141  0.250635  1
  Si  Si122  1  0.417315  0.583844  0.583569  1
  Si  Si123  1  0.417040  0.583352  0.916674  1
  Si  Si124  1  0.415638  0.917754  0.249726  1
  Si  Si125  1  0.417001  0.917077  0.582876  1
  Si  Si126  1  0.416298  0.916526  0.916484  1
  Si  Si127  1  0.749020  0.249634  0.249839  1
  Si  Si128  1  0.750137  0.249935  0.583367  1
  Si  Si129  1  0.746401  0.249817  0.912322  1
  Si  Si130  1  0.749945  0.583539  0.249744  1
  Si  Si131  1  0.750827  0.583476  0.583303  1
  Si  Si132  1  0.750455  0.582386  0.916513  1
  Si  Si133  1  0.748156  0.914540  0.249272  1
  Si  Si134  1  0.749885  0.916274  0.582393  1
  Si  Si135  1  0.749531  0.916015  0.915933  1
  Si  Si136  1  0.163874  0.000457  0.165497  1
  Si  Si137  1  0.166915  0.000414  0.499970  1
  Si  Si138  1  0.166875  0.999277  0.832185  1
  Si  Si139  1  0.178924  0.346562  0.171056  1
  Si  Si140  1  0.167858  0.334242  0.501426  1
  Si  Si141  1  0.166737  0.332933  0.834198  1
  Si  Si142  1  0.167149  0.666977  0.166543  1
  Si  Si143  1  0.167183  0.667599  0.500613  1
  Si  Si144  1  0.166814  0.666276  0.833502  1
  Si  Si145  1  0.499358  0.000274  0.166234  1
  Si  Si146  1  0.499915  0.000100  0.498979  1
  Si  Si147  1  0.499610  0.999615  0.833017  1
  Si  Si148  1  0.500410  0.333655  0.166673  1
  Si  Si149  1  0.501522  0.333900  0.501150  1
  Si  Si150  1  0.500182  0.333250  0.833151  1
  Si  Si151  1  0.501961  0.668798  0.166112  1
  Si  Si152  1  0.500373  0.667154  0.499879  1
  Si  Si153  1  0.500183  0.666554  0.833072  1
  Si  Si154  1  0.830198  0.996424  0.165161  1
  Si  Si155  1  0.833424  0.000019  0.499558  1
  Si  Si156  1  0.831949  0.998743  0.830996  1
  Si  Si157  1  0.832452  0.332041  0.166543  1
  Si  Si158  1  0.833485  0.333373  0.500254  1
  Si  Si159  1  0.834009  0.333086  0.833558  1
  Si  Si160  1  0.833323  0.666544  0.166381  1
  Si  Si161  1  0.833740  0.666471  0.499409  1
  Si  Si162  1  0.833304  0.665657  0.832866  1
  Si  Si163  1  0.078949  0.070099  0.071037  1
  Si  Si164  1  0.083442  0.084593  0.417532  1
  Si  Si165  1  0.083346  0.082980  0.749568  1
  Si  Si166  1  0.084492  0.416199  0.086096  1
  Si  Si167  1  0.084792  0.420215  0.419770  1
  Si  Si168  1  0.083763  0.416369  0.750612  1
  Si  Si169  1  0.083453  0.749663  0.082800  1
  Si  Si170  1  0.083620  0.750121  0.416730  1
  Si  Si171  1  0.083846  0.747876  0.748085  1
  Si  Si172  1  0.415813  0.083721  0.083268  1
  Si  Si173  1  0.416403  0.083542  0.416015  1
  Si  Si174  1  0.416885  0.083401  0.749813  1
  Si  Si175  1  0.417861  0.417375  0.083121  1
  Si  Si176  1  0.419014  0.417902  0.418019  1
  Si  Si177  1  0.416993  0.417029  0.750419  1
  Si  Si178  1  0.416506  0.750408  0.083168  1
  Si  Si179  1  0.417114  0.750972  0.416710  1
  Si  Si180  1  0.416975  0.750085  0.749784  1
  Si  Si181  1  0.748586  0.082412  0.082117  1
  Si  Si182  1  0.749668  0.083246  0.416519  1
  Si  Si183  1  0.748871  0.082760  0.748478  1
  Si  Si184  1  0.750007  0.416196  0.083080  1
  Si  Si185  1  0.750476  0.416626  0.416524  1
  Si  Si186  1  0.751053  0.416552  0.750064  1
  Si  Si187  1  0.749409  0.749062  0.082823  1
  Si  Si188  1  0.750636  0.750178  0.416256  1
  Si  Si189  1  0.750120  0.749476  0.749627  1
  Si  Si190  1  0.165761  0.165161  0.000062  1
  Si  Si191  1  0.173759  0.168982  0.343036  1
  Si  Si192  1  0.167033  0.166725  0.666888  1
  Si  Si193  1  0.166934  0.499355  0.001001  1
  Si  Si194  1  0.168407  0.502145  0.334327  1
  Si  Si195  1  0.167079  0.500315  0.667639  1
  Si  Si196  1  0.166602  0.832830  0.999177  1
  Si  Si197  1  0.166791  0.833464  0.333313  1
  Si  Si198  1  0.166876  0.833213  0.666432  1
  Si  Si199  1  0.499585  0.166562  0.999836  1
  Si  Si200  1  0.500179  0.166934  0.333285  1
  Si  Si201  1  0.500840  0.166489  0.667085  1
  Si  Si202  1  0.500749  0.500162  0.999539  1
  Si  Si203  1  0.501527  0.501093  0.333688  1
  Si  Si204  1  0.500420  0.500152  0.666828  1
  Si  Si205  1  0.499644  0.833054  0.999450  1
  Si  Si206  1  0.499604  0.834323  0.332737  1
  Si  Si207  1  0.500057  0.833373  0.666194  1
  Si  Si208  1  0.827019  0.164728  0.993204  1
  Si  Si209  1  0.832545  0.167121  0.333332  1
  Si  Si210  1  0.833166  0.166503  0.666604  1
  Si  Si211  1  0.833928  0.499091  0.000039  1
  Si  Si212  1  0.833383  0.499943  0.332765  1
  Si  Si213  1  0.833958  0.499839  0.666490  1
  Si  Si214  1  0.832351  0.831688  0.998934  1
  Si  Si215  1  0.833738  0.833531  0.332799  1
  Si  Si216  1  0.832988  0.832564  0.665530  1
  Se  Se217  1  0.086897  0.208316  0.163138  1