# 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  0.262208  0.252750  0.080556  1
  Si  Si2  1  0.250899  0.250137  0.418671  1
  Si  Si3  1  0.250190  0.249943  0.749287  1
  Si  Si4  1  0.250195  0.584036  0.083384  1
  Si  Si5  1  0.250679  0.583912  0.417697  1
  Si  Si6  1  0.249976  0.584246  0.749093  1
  Si  Si7  1  0.250903  0.914636  0.083208  1
  Si  Si8  1  0.250213  0.916947  0.416373  1
  Si  Si9  1  0.250686  0.915629  0.749430  1
  Si  Si10  1  0.583736  0.250080  0.083166  1
  Si  Si11  1  0.583661  0.250019  0.417190  1
  Si  Si12  1  0.583593  0.250053  0.749531  1
  Si  Si13  1  0.583606  0.583788  0.083291  1
  Si  Si14  1  0.583471  0.583547  0.416913  1
  Si  Si15  1  0.583491  0.583438  0.749929  1
  Si  Si16  1  0.583673  0.916148  0.083319  1
  Si  Si17  1  0.583271  0.916467  0.416879  1
  Si  Si18  1  0.583460  0.916360  0.749766  1
  Si  Si19  1  0.913061  0.250797  0.082516  1
  Si  Si20  1  0.915390  0.249493  0.418342  1
  Si  Si21  1  0.915932  0.250415  0.749151  1
  Si  Si22  1  0.915916  0.584163  0.082903  1
  Si  Si23  1  0.916358  0.583815  0.416661  1
  Si  Si24  1  0.916615  0.582894  0.750405  1
  Si  Si25  1  0.915415  0.914982  0.083819  1
  Si  Si26  1  0.916497  0.915323  0.418024  1
  Si  Si27  1  0.916366  0.916677  0.749537  1
  Si  Si28  1  0.994131  0.995857  0.994090  1
  Si  Si29  1  0.001242  0.997562  0.335774  1
  Si  Si30  1  0.999927  0.999738  0.666389  1
  Si  Si31  1  0.001334  0.332019  0.001280  1
  Si  Si32  1  0.994106  0.339232  0.337484  1
  Si  Si33  1  0.999707  0.333664  0.666373  1
  Si  Si34  1  0.999712  0.666937  0.999662  1
  Si  Si35  1  0.999932  0.666942  0.333584  1
  Si  Si36  1  0.999747  0.666251  0.667079  1
  Si  Si37  1  0.335792  0.997555  0.001208  1
  Si  Si38  1  0.332438  0.000901  0.332434  1
  Si  Si39  1  0.333624  0.999728  0.666604  1
  Si  Si40  1  0.337532  0.339185  0.994135  1
  Si  Si41  1  0.335794  0.332126  0.335760  1
  Si  Si42  1  0.333611  0.333427  0.666413  1
  Si  Si43  1  0.333620  0.666931  0.999931  1
  Si  Si44  1  0.333623  0.666719  0.333595  1
  Si  Si45  1  0.333544  0.667227  0.666123  1
  Si  Si46  1  0.666444  0.999733  0.999856  1
  Si  Si47  1  0.666609  0.999740  0.333581  1
  Si  Si48  1  0.666119  0.999816  0.666076  1
  Si  Si49  1  0.666419  0.333674  0.999628  1
  Si  Si50  1  0.666439  0.333446  0.333571  1
  Si  Si51  1  0.667097  0.333663  0.667063  1
  Si  Si52  1  0.667123  0.666250  0.999682  1
  Si  Si53  1  0.666144  0.667266  0.333510  1
  Si  Si54  1  0.666675  0.666687  0.666610  1
  Si  Si55  1  0.248752  0.084593  0.248729  1
  Si  Si56  1  0.250373  0.083009  0.583607  1
  Si  Si57  1  0.255977  0.077379  0.912512  1
  Si  Si58  1  0.255971  0.420816  0.255945  1
  Si  Si59  1  0.250140  0.416947  0.583606  1
  Si  Si60  1  0.248861  0.419029  0.914301  1
  Si  Si61  1  0.250339  0.749695  0.250329  1
  Si  Si62  1  0.250327  0.750410  0.582928  1
  Si  Si63  1  0.250154  0.749706  0.916385  1
  Si  Si64  1  0.583661  0.083023  0.250290  1
  Si  Si65  1  0.582938  0.083060  0.582887  1
  Si  Si66  1  0.583652  0.083209  0.916322  1
  Si  Si67  1  0.583660  0.416952  0.250064  1
  Si  Si68  1  0.583930  0.416888  0.583874  1
  Si  Si69  1  0.583384  0.416976  0.916370  1
  Si  Si70  1  0.582962  0.750448  0.250278  1
  Si  Si71  1  0.583426  0.749868  0.583383  1
  Si  Si72  1  0.583942  0.749453  0.916487  1
  Si  Si73  1  0.912554  0.077363  0.255961  1
  Si  Si74  1  0.916378  0.083213  0.583596  1
  Si  Si75  1  0.914298  0.084507  0.914231  1
  Si  Si76  1  0.914282  0.419076  0.248822  1
  Si  Si77  1  0.916415  0.416949  0.583351  1
  Si  Si78  1  0.917624  0.415736  0.917563  1
  Si  Si79  1  0.916382  0.749725  0.250105  1
  Si  Si80  1  0.916535  0.749463  0.583919  1
  Si  Si81  1  0.916447  0.749957  0.916359  1
  Si  Si82  1  0.987713  0.163855  0.169440  1
  Si  Si83  1  0.999874  0.166674  0.500766  1
  Si  Si84  1  0.999152  0.166532  0.831315  1
  Si  Si85  1  0.999123  0.501994  0.166787  1
  Si  Si86  1  0.999386  0.501042  0.500554  1
  Si  Si87  1  0.999915  0.499670  0.833644  1
  Si  Si88  1  0.999878  0.832554  0.166651  1
  Si  Si89  1  0.000076  0.832415  0.500930  1
  Si  Si90  1  0.999406  0.832787  0.832289  1
  Si  Si91  1  0.336920  0.165865  0.167462  1
  Si  Si92  1  0.334135  0.166284  0.500823  1
  Si  Si93  1  0.334728  0.167108  0.831656  1
  Si  Si94  1  0.334724  0.501652  0.166201  1
  Si  Si95  1  0.333692  0.499997  0.500424  1
  Si  Si96  1  0.333552  0.501333  0.832022  1
  Si  Si97  1  0.334122  0.832501  0.167091  1
  Si  Si98  1  0.333504  0.833718  0.499620  1
  Si  Si99  1  0.333708  0.832892  0.833332  1
  Si  Si100  1  0.666399  0.166565  0.166720  1
  Si  Si101  1  0.666442  0.166656  0.500388  1
  Si  Si102  1  0.666375  0.166695  0.832739  1
  Si  Si103  1  0.666391  0.500558  0.166631  1
  Si  Si104  1  0.666666  0.500257  0.500208  1
  Si  Si105  1  0.666738  0.500194  0.833133  1
  Si  Si106  1  0.666459  0.832957  0.166673  1
  Si  Si107  1  0.666533  0.833264  0.500084  1
  Si  Si108  1  0.666662  0.833094  0.833074  1
  Si  Si109  1  0.080634  0.252789  0.262250  1
  Si  Si110  1  0.083254  0.250077  0.583717  1
  Si  Si111  1  0.082605  0.250737  0.913103  1
  Si  Si112  1  0.083380  0.584035  0.250157  1
  Si  Si113  1  0.083345  0.583767  0.583583  1
  Si  Si114  1  0.082971  0.584146  0.915911  1
  Si  Si115  1  0.083228  0.914637  0.250883  1
  Si  Si116  1  0.083379  0.916124  0.583648  1
  Si  Si117  1  0.083869  0.914986  0.915371  1
  Si  Si118  1  0.418702  0.250134  0.250847  1
  Si  Si119  1  0.417240  0.250022  0.583634  1
  Si  Si120  1  0.418383  0.249481  0.915360  1
  Si  Si121  1  0.417745  0.583918  0.250651  1
  Si  Si122  1  0.416947  0.583538  0.583399  1
  Si  Si123  1  0.416672  0.583787  0.916350  1
  Si  Si124  1  0.416386  0.916979  0.250184  1
  Si  Si125  1  0.416908  0.916468  0.583273  1
  Si  Si126  1  0.418056  0.915312  0.916459  1
  Si  Si127  1  0.749300  0.249983  0.250127  1
  Si  Si128  1  0.749578  0.250046  0.583572  1
  Si  Si129  1  0.749187  0.250435  0.915833  1
  Si  Si130  1  0.749103  0.584278  0.249932  1
  Si  Si131  1  0.750019  0.583438  0.583471  1
  Si  Si132  1  0.750441  0.582918  0.916514  1
  Si  Si133  1  0.749445  0.915667  0.250637  1
  Si  Si134  1  0.749811  0.916392  0.583401  1
  Si  Si135  1  0.749597  0.916652  0.916301  1
  Si  Si136  1  0.167502  0.996391  0.167490  1
  Si  Si137  1  0.167118  0.999220  0.500827  1
  Si  Si138  1  0.166226  0.998653  0.831666  1
  Si  Si139  1  0.169567  0.345557  0.169430  1
  Si  Si140  1  0.166662  0.333464  0.500769  1
  Si  Si141  1  0.166837  0.334192  0.831348  1
  Si  Si142  1  0.166790  0.666945  0.166783  1
  Si  Si143  1  0.166733  0.666906  0.500413  1
  Si  Si144  1  0.166686  0.666966  0.832800  1
  Si  Si145  1  0.500840  0.999238  0.167069  1
  Si  Si146  1  0.499610  0.999905  0.499594  1
  Si  Si147  1  0.500477  0.999624  0.833290  1
  Si  Si148  1  0.500811  0.333458  0.166612  1
  Si  Si149  1  0.500948  0.333313  0.500918  1
  Si  Si150  1  0.500578  0.333972  0.832300  1
  Si  Si151  1  0.500453  0.666928  0.166699  1
  Si  Si152  1  0.500093  0.666768  0.500041  1
  Si  Si153  1  0.500227  0.666747  0.833128  1
  Si  Si154  1  0.831700  0.998674  0.166159  1
  Si  Si155  1  0.833321  0.999662  0.500409  1
  Si  Si156  1  0.832010  0.999803  0.831955  1
  Si  Si157  1  0.831344  0.334253  0.166781  1
  Si  Si158  1  0.832326  0.333978  0.500547  1
  Si  Si159  1  0.833661  0.333510  0.833600  1
  Si  Si160  1  0.832812  0.666981  0.166628  1
  Si  Si161  1  0.833147  0.666776  0.500197  1
  Si  Si162  1  0.833218  0.666558  0.833135  1
  Si  Si163  1  0.080654  0.071081  0.080531  1
  Si  Si164  1  0.083245  0.082450  0.418688  1
  Si  Si165  1  0.083400  0.083164  0.749263  1
  Si  Si166  1  0.082578  0.420231  0.082566  1
  Si  Si167  1  0.083852  0.417954  0.418343  1
  Si  Si168  1  0.082978  0.417409  0.749173  1
  Si  Si169  1  0.083261  0.749603  0.083250  1
  Si  Si170  1  0.083369  0.749679  0.417222  1
  Si  Si171  1  0.083351  0.749749  0.749559  1
  Si  Si172  1  0.418688  0.082456  0.083201  1
  Si  Si173  1  0.416386  0.083175  0.416337  1
  Si  Si174  1  0.417750  0.082661  0.749400  1
  Si  Si175  1  0.418387  0.417953  0.083830  1
  Si  Si176  1  0.418048  0.416895  0.417988  1
  Si  Si177  1  0.416676  0.417012  0.749560  1
  Si  Si178  1  0.417245  0.749702  0.083355  1
  Si  Si179  1  0.416889  0.750064  0.416845  1
  Si  Si180  1  0.416961  0.749926  0.749790  1
  Si  Si181  1  0.749319  0.083178  0.083310  1
  Si  Si182  1  0.749424  0.082691  0.417667  1
  Si  Si183  1  0.749095  0.083382  0.749045  1
  Si  Si184  1  0.749185  0.417454  0.082881  1
  Si  Si185  1  0.749580  0.417016  0.416654  1
  Si  Si186  1  0.750421  0.416812  0.750389  1
  Si  Si187  1  0.749590  0.749773  0.083280  1
  Si  Si188  1  0.749813  0.749962  0.416929  1
  Si  Si189  1  0.750002  0.749806  0.749914  1
  Si  Si190  1  0.169577  0.163878  0.987788  1
  Si  Si191  1  0.167506  0.165846  0.336927  1
  Si  Si192  1  0.166808  0.166549  0.666351  1
  Si  Si193  1  0.166838  0.501979  0.999130  1
  Si  Si194  1  0.166219  0.501660  0.334674  1
  Si  Si195  1  0.166693  0.500532  0.666364  1
  Si  Si196  1  0.166672  0.832544  0.999857  1
  Si  Si197  1  0.167096  0.832495  0.334115  1
  Si  Si198  1  0.166732  0.832930  0.666426  1
  Si  Si199  1  0.500795  0.166639  0.999819  1
  Si  Si200  1  0.500849  0.166269  0.334076  1
  Si  Si201  1  0.500429  0.166650  0.666402  1
  Si  Si202  1  0.500585  0.501034  0.999372  1
  Si  Si203  1  0.500500  0.500011  0.333658  1
  Si  Si204  1  0.500226  0.500246  0.666609  1
  Si  Si205  1  0.500960  0.832413  0.000046  1
  Si  Si206  1  0.499633  0.833733  0.333447  1
  Si  Si207  1  0.500124  0.833228  0.666514  1
  Si  Si208  1  0.831347  0.166547  0.999042  1
  Si  Si209  1  0.831689  0.167147  0.334644  1
  Si  Si210  1  0.832811  0.166682  0.666343  1
  Si  Si211  1  0.833657  0.499701  0.999809  1
  Si  Si212  1  0.832009  0.501377  0.333533  1
  Si  Si213  1  0.833195  0.500173  0.666734  1
  Si  Si214  1  0.832354  0.832770  0.999339  1
  Si  Si215  1  0.833342  0.832933  0.333660  1
  Si  Si216  1  0.833132  0.833133  0.666608  1
  Se  Se217  1  0.124891  0.208294  0.125069  1
