# 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  0.249992  0.249018  0.081842  1
  Si  Si2  1  0.248966  0.250245  0.416083  1
  Si  Si3  1  0.250824  0.249915  0.749518  1
  Si  Si4  1  0.250191  0.582887  0.083268  1
  Si  Si5  1  0.250399  0.583927  0.416848  1
  Si  Si6  1  0.250571  0.582953  0.749746  1
  Si  Si7  1  0.256810  0.910265  0.081475  1
  Si  Si8  1  0.250036  0.917223  0.415869  1
  Si  Si9  1  0.251094  0.915607  0.748357  1
  Si  Si10  1  0.583140  0.250417  0.083386  1
  Si  Si11  1  0.582436  0.250376  0.417000  1
  Si  Si12  1  0.583646  0.250204  0.749881  1
  Si  Si13  1  0.582887  0.584201  0.083149  1
  Si  Si14  1  0.583211  0.583764  0.416842  1
  Si  Si15  1  0.583851  0.583394  0.750020  1
  Si  Si16  1  0.583511  0.916415  0.083192  1
  Si  Si17  1  0.583458  0.917270  0.416501  1
  Si  Si18  1  0.584551  0.916371  0.749265  1
  Si  Si19  1  0.907006  0.257159  0.085673  1
  Si  Si20  1  0.915649  0.251688  0.418825  1
  Si  Si21  1  0.916791  0.250163  0.750263  1
  Si  Si22  1  0.916843  0.583523  0.083658  1
  Si  Si23  1  0.916329  0.584835  0.417748  1
  Si  Si24  1  0.917241  0.583007  0.751008  1
  Si  Si25  1  0.916715  0.915905  0.083891  1
  Si  Si26  1  0.917264  0.916735  0.416581  1
  Si  Si27  1  0.917271  0.917049  0.750238  1
  Si  Si28  1  0.996973  0.993960  0.993349  1
  Si  Si29  1  0.001641  0.999782  0.333807  1
  Si  Si30  1  0.000416  0.000101  0.666507  1
  Si  Si31  1  0.001224  0.330305  0.003078  1
  Si  Si32  1  0.996753  0.344039  0.343259  1
  Si  Si33  1  0.000149  0.333641  0.667174  1
  Si  Si34  1  0.000387  0.666367  0.999967  1
  Si  Si35  1  0.000017  0.667064  0.333683  1
  Si  Si36  1  0.000022  0.667018  0.667731  1
  Si  Si37  1  0.336553  0.998120  0.998476  1
  Si  Si38  1  0.331397  0.001433  0.331496  1
  Si  Si39  1  0.334209  0.999880  0.665576  1
  Si  Si40  1  0.334150  0.333098  0.999796  1
  Si  Si41  1  0.332893  0.333620  0.333310  1
  Si  Si42  1  0.333675  0.333613  0.666570  1
  Si  Si43  1  0.333815  0.665854  0.999782  1
  Si  Si44  1  0.333661  0.666887  0.333349  1
  Si  Si45  1  0.333595  0.666690  0.666375  1
  Si  Si46  1  0.666701  0.999813  0.999959  1
  Si  Si47  1  0.666692  0.000732  0.333425  1
  Si  Si48  1  0.667129  0.000347  0.666031  1
  Si  Si49  1  0.666546  0.334028  0.000423  1
  Si  Si50  1  0.665624  0.334126  0.334279  1
  Si  Si51  1  0.666804  0.333965  0.667493  1
  Si  Si52  1  0.667461  0.666270  0.000010  1
  Si  Si53  1  0.666079  0.668000  0.333912  1
  Si  Si54  1  0.666937  0.667068  0.666833  1
  Si  Si55  1  0.246964  0.084484  0.246959  1
  Si  Si56  1  0.250317  0.083428  0.582903  1
  Si  Si57  1  0.260756  0.080023  0.906816  1
  Si  Si58  1  0.249834  0.417414  0.250241  1
  Si  Si59  1  0.250338  0.416938  0.583538  1
  Si  Si60  1  0.250353  0.416160  0.916753  1
  Si  Si61  1  0.250621  0.749819  0.249646  1
  Si  Si62  1  0.250655  0.750051  0.582536  1
  Si  Si63  1  0.250832  0.748912  0.915758  1
  Si  Si64  1  0.583004  0.083725  0.250064  1
  Si  Si65  1  0.583722  0.083347  0.582306  1
  Si  Si66  1  0.583786  0.083309  0.916398  1
  Si  Si67  1  0.582541  0.417106  0.250275  1
  Si  Si68  1  0.583358  0.416905  0.583722  1
  Si  Si69  1  0.583664  0.417087  0.916686  1
  Si  Si70  1  0.583015  0.750761  0.250017  1
  Si  Si71  1  0.583740  0.750250  0.583153  1
  Si  Si72  1  0.584679  0.749350  0.916143  1
  Si  Si73  1  0.910718  0.080341  0.256703  1
  Si  Si74  1  0.916808  0.083756  0.583572  1
  Si  Si75  1  0.916467  0.084941  0.916253  1
  Si  Si76  1  0.914868  0.419873  0.251620  1
  Si  Si77  1  0.916582  0.417503  0.584512  1
  Si  Si78  1  0.918137  0.414778  0.918565  1
  Si  Si79  1  0.916445  0.749964  0.250168  1
  Si  Si80  1  0.916998  0.750385  0.584012  1
  Si  Si81  1  0.917442  0.750067  0.916597  1
  Si  Si82  1  0.970236  0.192232  0.195474  1
  Si  Si83  1  0.999816  0.167470  0.500525  1
  Si  Si84  1  0.000748  0.166559  0.832639  1
  Si  Si85  1  0.999880  0.500422  0.167299  1
  Si  Si86  1  0.999308  0.503998  0.503890  1
  Si  Si87  1  0.000265  0.499004  0.834422  1
  Si  Si88  1  0.000180  0.832316  0.166384  1
  Si  Si89  1  0.000259  0.833277  0.500173  1
  Si  Si90  1  0.000808  0.831402  0.831196  1
  Si  Si91  1  0.333187  0.166594  0.165477  1
  Si  Si92  1  0.332888  0.167151  0.499355  1
  Si  Si93  1  0.339824  0.167286  0.827359  1
  Si  Si94  1  0.333610  0.500120  0.166838  1
  Si  Si95  1  0.333333  0.500306  0.500104  1
  Si  Si96  1  0.333511  0.499605  0.833265  1
  Si  Si97  1  0.337673  0.829634  0.166611  1
  Si  Si98  1  0.333570  0.833703  0.499135  1
  Si  Si99  1  0.334083  0.832833  0.832743  1
  Si  Si100  1  0.666237  0.167327  0.167108  1
  Si  Si101  1  0.665851  0.167629  0.500834  1
  Si  Si102  1  0.666872  0.166980  0.833383  1
  Si  Si103  1  0.664415  0.502418  0.167553  1
  Si  Si104  1  0.666381  0.500640  0.500605  1
  Si  Si105  1  0.667193  0.500355  0.833741  1
  Si  Si106  1  0.666775  0.833329  0.166620  1
  Si  Si107  1  0.666750  0.834204  0.500158  1
  Si  Si108  1  0.667611  0.833251  0.833052  1
  Si  Si109  1  0.078933  0.262332  0.263232  1
  Si  Si110  1  0.083464  0.250518  0.583669  1
  Si  Si111  1  0.084602  0.247220  0.917133  1
  Si  Si112  1  0.083348  0.583776  0.250346  1
  Si  Si113  1  0.083863  0.585267  0.585499  1
  Si  Si114  1  0.083778  0.582733  0.916936  1
  Si  Si115  1  0.083502  0.915753  0.248769  1
  Si  Si116  1  0.083652  0.916648  0.583198  1
  Si  Si117  1  0.084831  0.913501  0.913075  1
  Si  Si118  1  0.415850  0.250031  0.249644  1
  Si  Si119  1  0.416527  0.250133  0.582906  1
  Si  Si120  1  0.417845  0.250170  0.915963  1
  Si  Si121  1  0.416883  0.583517  0.249969  1
  Si  Si122  1  0.416975  0.583529  0.583222  1
  Si  Si123  1  0.416996  0.582935  0.916300  1
  Si  Si124  1  0.416410  0.917316  0.249801  1
  Si  Si125  1  0.417171  0.916633  0.582377  1
  Si  Si126  1  0.419070  0.915228  0.915422  1
  Si  Si127  1  0.748609  0.251209  0.250928  1
  Si  Si128  1  0.749450  0.250538  0.584320  1
  Si  Si129  1  0.750009  0.250269  0.917139  1
  Si  Si130  1  0.748857  0.584891  0.250563  1
  Si  Si131  1  0.750151  0.583674  0.583823  1
  Si  Si132  1  0.751065  0.583233  0.916799  1
  Si  Si133  1  0.749724  0.916829  0.250057  1
  Si  Si134  1  0.750675  0.917094  0.583173  1
  Si  Si135  1  0.750495  0.916827  0.916719  1
  Si  Si136  1  0.173777  0.990294  0.164368  1
  Si  Si137  1  0.166837  0.000030  0.499864  1
  Si  Si138  1  0.168434  0.998945  0.831181  1
  Si  Si139  1  0.165790  0.333254  0.168175  1
  Si  Si140  1  0.166606  0.334141  0.500532  1
  Si  Si141  1  0.166931  0.332327  0.833926  1
  Si  Si142  1  0.167051  0.666433  0.166617  1
  Si  Si143  1  0.166876  0.666875  0.500137  1
  Si  Si144  1  0.167110  0.665694  0.833041  1
  Si  Si145  1  0.500216  0.000028  0.166424  1
  Si  Si146  1  0.499651  0.000607  0.499037  1
  Si  Si147  1  0.501555  0.999657  0.832286  1
  Si  Si148  1  0.499605  0.333469  0.166771  1
  Si  Si149  1  0.499689  0.333857  0.500291  1
  Si  Si150  1  0.500731  0.333760  0.833185  1
  Si  Si151  1  0.500851  0.666246  0.166934  1
  Si  Si152  1  0.500067  0.667122  0.499963  1
  Si  Si153  1  0.500443  0.666492  0.833199  1
  Si  Si154  1  0.832634  0.000028  0.166231  1
  Si  Si155  1  0.833767  0.000545  0.499848  1
  Si  Si156  1  0.833442  0.000587  0.833436  1
  Si  Si157  1  0.827003  0.340177  0.168600  1
  Si  Si158  1  0.832355  0.334403  0.501663  1
  Si  Si159  1  0.833965  0.333321  0.834265  1
  Si  Si160  1  0.833191  0.666735  0.166851  1
  Si  Si161  1  0.833038  0.667793  0.500780  1
  Si  Si162  1  0.833949  0.666847  0.833555  1
  Si  Si163  1  0.108854  0.053534  0.054561  1
  Si  Si164  1  0.083276  0.084004  0.417461  1
  Si  Si165  1  0.084178  0.083124  0.749519  1
  Si  Si166  1  0.083352  0.416479  0.084610  1
  Si  Si167  1  0.083957  0.423161  0.422735  1
  Si  Si168  1  0.083840  0.416274  0.750685  1
  Si  Si169  1  0.083973  0.749573  0.082941  1
  Si  Si170  1  0.083696  0.750189  0.416696  1
  Si  Si171  1  0.084351  0.749087  0.749204  1
  Si  Si172  1  0.417136  0.083130  0.082778  1
  Si  Si173  1  0.415623  0.083590  0.415616  1
  Si  Si174  1  0.420692  0.082667  0.746180  1
  Si  Si175  1  0.416850  0.416905  0.083186  1
  Si  Si176  1  0.416289  0.416800  0.416824  1
  Si  Si177  1  0.417056  0.416660  0.749967  1
  Si  Si178  1  0.419066  0.747777  0.082529  1
  Si  Si179  1  0.417012  0.750421  0.416241  1
  Si  Si180  1  0.417326  0.749758  0.749499  1
  Si  Si181  1  0.749062  0.083524  0.083751  1
  Si  Si182  1  0.748135  0.084035  0.418828  1
  Si  Si183  1  0.750006  0.083652  0.749859  1
  Si  Si184  1  0.746343  0.421072  0.083494  1
  Si  Si185  1  0.749487  0.417413  0.417351  1
  Si  Si186  1  0.750468  0.416814  0.750953  1
  Si  Si187  1  0.750181  0.749952  0.083331  1
  Si  Si188  1  0.749919  0.750937  0.417050  1
  Si  Si189  1  0.750839  0.750077  0.749913  1
  Si  Si190  1  0.179042  0.162201  0.986770  1
  Si  Si191  1  0.163864  0.167875  0.332891  1
  Si  Si192  1  0.167184  0.166790  0.666372  1
  Si  Si193  1  0.166752  0.499133  0.000415  1
  Si  Si194  1  0.166817  0.501080  0.334045  1
  Si  Si195  1  0.166820  0.499840  0.667089  1
  Si  Si196  1  0.167884  0.831895  0.999105  1
  Si  Si197  1  0.166946  0.833332  0.332978  1
  Si  Si198  1  0.167205  0.832705  0.665695  1
  Si  Si199  1  0.500446  0.166655  0.999723  1
  Si  Si200  1  0.499403  0.167070  0.333139  1
  Si  Si201  1  0.501977  0.167198  0.664538  1
  Si  Si202  1  0.500197  0.500185  0.000082  1
  Si  Si203  1  0.499621  0.500281  0.333760  1
  Si  Si204  1  0.500178  0.500280  0.666807  1
  Si  Si205  1  0.501581  0.832150  0.999494  1
  Si  Si206  1  0.499904  0.834325  0.333225  1
  Si  Si207  1  0.500409  0.833485  0.666249  1
  Si  Si208  1  0.832473  0.166816  0.001306  1
  Si  Si209  1  0.830178  0.168132  0.336952  1
  Si  Si210  1  0.833380  0.167009  0.666855  1
  Si  Si211  1  0.834051  0.499782  0.000290  1
  Si  Si212  1  0.831900  0.502362  0.334639  1
  Si  Si213  1  0.833301  0.500451  0.667686  1
  Si  Si214  1  0.833539  0.833096  0.999974  1
  Si  Si215  1  0.833447  0.833778  0.333340  1
  Si  Si216  1  0.833802  0.833943  0.666918  1
  Se  Se217  1  0.086948  0.170365  0.124879  1