# 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  0.249945  0.249284  0.081800  1
  Si  Si2  1  0.248957  0.250252  0.415972  1
  Si  Si3  1  0.250728  0.249983  0.749443  1
  Si  Si4  1  0.250109  0.582907  0.083188  1
  Si  Si5  1  0.250359  0.584055  0.416722  1
  Si  Si6  1  0.250494  0.582961  0.749740  1
  Si  Si7  1  0.256608  0.910518  0.081572  1
  Si  Si8  1  0.249977  0.917332  0.415723  1
  Si  Si9  1  0.250914  0.915874  0.748470  1
  Si  Si10  1  0.583096  0.250357  0.083274  1
  Si  Si11  1  0.582426  0.250384  0.416854  1
  Si  Si12  1  0.583631  0.250146  0.749774  1
  Si  Si13  1  0.582910  0.584191  0.083101  1
  Si  Si14  1  0.583212  0.583748  0.416732  1
  Si  Si15  1  0.583791  0.583372  0.750037  1
  Si  Si16  1  0.583468  0.916504  0.083134  1
  Si  Si17  1  0.583405  0.917324  0.416425  1
  Si  Si18  1  0.584411  0.916439  0.749295  1
  Si  Si19  1  0.907038  0.257174  0.084996  1
  Si  Si20  1  0.915812  0.251535  0.418417  1
  Si  Si21  1  0.916796  0.250131  0.750182  1
  Si  Si22  1  0.916826  0.583503  0.083597  1
  Si  Si23  1  0.916396  0.584780  0.417564  1
  Si  Si24  1  0.917300  0.583035  0.750848  1
  Si  Si25  1  0.916667  0.916076  0.083694  1
  Si  Si26  1  0.917267  0.916928  0.416466  1
  Si  Si27  1  0.917301  0.917042  0.750130  1
  Si  Si28  1  0.996776  0.994192  0.993532  1
  Si  Si29  1  0.001439  0.999794  0.333612  1
  Si  Si30  1  0.000342  0.000150  0.666464  1
  Si  Si31  1  0.000994  0.330441  0.002814  1
  Si  Si32  1  0.997084  0.343607  0.342863  1
  Si  Si33  1  0.000089  0.333580  0.667094  1
  Si  Si34  1  0.000301  0.666327  0.999995  1
  Si  Si35  1  0.999955  0.667084  0.333579  1
  Si  Si36  1  0.000031  0.667017  0.667630  1
  Si  Si37  1  0.336012  0.998346  0.998483  1
  Si  Si38  1  0.331415  0.001419  0.331454  1
  Si  Si39  1  0.334028  0.999980  0.665573  1
  Si  Si40  1  0.334059  0.333075  0.999796  1
  Si  Si41  1  0.332700  0.333592  0.333131  1
  Si  Si42  1  0.333560  0.333584  0.666460  1
  Si  Si43  1  0.333646  0.665913  0.999760  1
  Si  Si44  1  0.333588  0.666877  0.333237  1
  Si  Si45  1  0.333429  0.666663  0.666349  1
  Si  Si46  1  0.666654  0.999848  0.999945  1
  Si  Si47  1  0.666565  0.000807  0.333396  1
  Si  Si48  1  0.666989  0.000353  0.666004  1
  Si  Si49  1  0.666526  0.333911  0.000376  1
  Si  Si50  1  0.665731  0.333959  0.334105  1
  Si  Si51  1  0.666794  0.333912  0.667419  1
  Si  Si52  1  0.667341  0.666353  0.000054  1
  Si  Si53  1  0.666129  0.667888  0.333795  1
  Si  Si54  1  0.666901  0.667023  0.666813  1
  Si  Si55  1  0.247078  0.084296  0.247171  1
  Si  Si56  1  0.250281  0.083441  0.582880  1
  Si  Si57  1  0.260243  0.080429  0.907200  1
  Si  Si58  1  0.249746  0.417344  0.250180  1
  Si  Si59  1  0.250317  0.416872  0.583586  1
  Si  Si60  1  0.250284  0.416031  0.916865  1
  Si  Si61  1  0.250591  0.749799  0.249618  1
  Si  Si62  1  0.250552  0.750054  0.582570  1
  Si  Si63  1  0.250659  0.749035  0.915885  1
  Si  Si64  1  0.582935  0.083653  0.249992  1
  Si  Si65  1  0.583670  0.083325  0.582356  1
  Si  Si66  1  0.583765  0.083272  0.916408  1
  Si  Si67  1  0.582622  0.416967  0.250247  1
  Si  Si68  1  0.583359  0.416789  0.583709  1
  Si  Si69  1  0.583664  0.416942  0.916746  1
  Si  Si70  1  0.583044  0.750655  0.249963  1
  Si  Si71  1  0.583723  0.750255  0.583155  1
  Si  Si72  1  0.584567  0.749420  0.916202  1
  Si  Si73  1  0.910865  0.080200  0.256456  1
  Si  Si74  1  0.916866  0.083679  0.583547  1
  Si  Si75  1  0.916434  0.084743  0.916339  1
  Si  Si76  1  0.915041  0.419338  0.251521  1
  Si  Si77  1  0.916624  0.417338  0.584437  1
  Si  Si78  1  0.918080  0.414777  0.918531  1
  Si  Si79  1  0.916451  0.749953  0.250091  1
  Si  Si80  1  0.917080  0.750323  0.583949  1
  Si  Si81  1  0.917447  0.749939  0.916584  1
  Si  Si82  1  0.969333  0.193258  0.196112  1
  Si  Si83  1  0.999840  0.167448  0.500470  1
  Si  Si84  1  0.000608  0.166587  0.832774  1
  Si  Si85  1  0.999837  0.500341  0.167279  1
  Si  Si86  1  0.999380  0.503878  0.503744  1
  Si  Si87  1  0.000210  0.499059  0.834350  1
  Si  Si88  1  0.000089  0.832489  0.166364  1
  Si  Si89  1  0.000207  0.833384  0.500140  1
  Si  Si90  1  0.000739  0.831460  0.831261  1
  Si  Si91  1  0.332957  0.166661  0.165492  1
  Si  Si92  1  0.332876  0.167219  0.499392  1
  Si  Si93  1  0.339497  0.167396  0.827569  1
  Si  Si94  1  0.333545  0.500171  0.166816  1
  Si  Si95  1  0.333225  0.500331  0.500037  1
  Si  Si96  1  0.333408  0.499594  0.833318  1
  Si  Si97  1  0.337514  0.829774  0.166606  1
  Si  Si98  1  0.333417  0.833772  0.499127  1
  Si  Si99  1  0.333844  0.833021  0.832858  1
  Si  Si100  1  0.666213  0.167289  0.167074  1
  Si  Si101  1  0.665756  0.167588  0.500807  1
  Si  Si102  1  0.666819  0.166978  0.833342  1
  Si  Si103  1  0.664473  0.502324  0.167412  1
  Si  Si104  1  0.666469  0.500508  0.500462  1
  Si  Si105  1  0.667152  0.500344  0.833791  1
  Si  Si106  1  0.666707  0.833428  0.166670  1
  Si  Si107  1  0.666744  0.834222  0.500083  1
  Si  Si108  1  0.667545  0.833310  0.833079  1
  Si  Si109  1  0.079804  0.262212  0.262933  1
  Si  Si110  1  0.083588  0.250501  0.583685  1
  Si  Si111  1  0.084600  0.247471  0.917159  1
  Si  Si112  1  0.083402  0.583791  0.250326  1
  Si  Si113  1  0.083903  0.585238  0.585443  1
  Si  Si114  1  0.083804  0.582752  0.916971  1
  Si  Si115  1  0.083595  0.915874  0.248837  1
  Si  Si116  1  0.083711  0.916754  0.583203  1
  Si  Si117  1  0.084606  0.913828  0.913306  1
  Si  Si118  1  0.415844  0.250020  0.249593  1
  Si  Si119  1  0.416607  0.250122  0.582916  1
  Si  Si120  1  0.417879  0.250209  0.916007  1
  Si  Si121  1  0.416955  0.583543  0.249875  1
  Si  Si122  1  0.416943  0.583507  0.583215  1
  Si  Si123  1  0.416975  0.582960  0.916337  1
  Si  Si124  1  0.416486  0.917327  0.249780  1
  Si  Si125  1  0.417090  0.916685  0.582436  1
  Si  Si126  1  0.418822  0.915487  0.915539  1
  Si  Si127  1  0.748966  0.251024  0.250826  1
  Si  Si128  1  0.749568  0.250501  0.584260  1
  Si  Si129  1  0.750124  0.250210  0.917131  1
  Si  Si130  1  0.749045  0.584761  0.250490  1
  Si  Si131  1  0.750250  0.583673  0.583763  1
  Si  Si132  1  0.751080  0.583336  0.916854  1
  Si  Si133  1  0.749797  0.917034  0.250044  1
  Si  Si134  1  0.750712  0.917137  0.583199  1
  Si  Si135  1  0.750598  0.916910  0.916738  1
  Si  Si136  1  0.173864  0.990323  0.164913  1
  Si  Si137  1  0.166821  0.000088  0.499864  1
  Si  Si138  1  0.168258  0.999142  0.831557  1
  Si  Si139  1  0.165966  0.333227  0.168181  1
  Si  Si140  1  0.166674  0.334094  0.500582  1
  Si  Si141  1  0.166919  0.332318  0.834015  1
  Si  Si142  1  0.167007  0.666416  0.166682  1
  Si  Si143  1  0.166800  0.666876  0.500167  1
  Si  Si144  1  0.167076  0.665734  0.833149  1
  Si  Si145  1  0.500169  0.000076  0.166424  1
  Si  Si146  1  0.499662  0.000614  0.499156  1
  Si  Si147  1  0.501439  0.999737  0.832396  1
  Si  Si148  1  0.499651  0.333428  0.166806  1
  Si  Si149  1  0.499686  0.333855  0.500248  1
  Si  Si150  1  0.500839  0.333697  0.833260  1
  Si  Si151  1  0.500896  0.666235  0.166879  1
  Si  Si152  1  0.500055  0.667102  0.499969  1
  Si  Si153  1  0.500394  0.666527  0.833260  1
  Si  Si154  1  0.832779  0.000016  0.166321  1
  Si  Si155  1  0.833767  0.000611  0.499868  1
  Si  Si156  1  0.833579  0.000573  0.833467  1
  Si  Si157  1  0.827264  0.339886  0.168432  1
  Si  Si158  1  0.832555  0.334215  0.501501  1
  Si  Si159  1  0.834024  0.333282  0.834293  1
  Si  Si160  1  0.833225  0.666742  0.166835  1
  Si  Si161  1  0.833135  0.667747  0.500697  1
  Si  Si162  1  0.833982  0.666765  0.833566  1
  Si  Si163  1  0.109901  0.052667  0.053831  1
  Si  Si164  1  0.083300  0.083909  0.417234  1
  Si  Si165  1  0.084138  0.083137  0.749515  1
  Si  Si166  1  0.083357  0.416280  0.084517  1
  Si  Si167  1  0.084056  0.422867  0.422484  1
  Si  Si168  1  0.083865  0.416196  0.750573  1
  Si  Si169  1  0.083944  0.749568  0.082926  1
  Si  Si170  1  0.083700  0.750157  0.416613  1
  Si  Si171  1  0.084304  0.749074  0.749181  1
  Si  Si172  1  0.417027  0.083132  0.082734  1
  Si  Si173  1  0.415715  0.083540  0.415630  1
  Si  Si174  1  0.420533  0.082779  0.746272  1
  Si  Si175  1  0.416922  0.416849  0.083147  1
  Si  Si176  1  0.416252  0.416728  0.416669  1
  Si  Si177  1  0.417046  0.416514  0.749990  1
  Si  Si178  1  0.419021  0.747795  0.082563  1
  Si  Si179  1  0.416994  0.750417  0.416189  1
  Si  Si180  1  0.417173  0.749795  0.749543  1
  Si  Si181  1  0.749203  0.083449  0.083656  1
  Si  Si182  1  0.748153  0.084015  0.418746  1
  Si  Si183  1  0.750051  0.083535  0.749776  1
  Si  Si184  1  0.746502  0.420812  0.083415  1
  Si  Si185  1  0.749683  0.417170  0.417142  1
  Si  Si186  1  0.750507  0.416756  0.750879  1
  Si  Si187  1  0.750199  0.749994  0.083297  1
  Si  Si188  1  0.750004  0.750879  0.416911  1
  Si  Si189  1  0.750860  0.750052  0.749887  1
  Si  Si190  1  0.178824  0.163159  0.987086  1
  Si  Si191  1  0.164099  0.167940  0.332819  1
  Si  Si192  1  0.167164  0.166898  0.666310  1
  Si  Si193  1  0.166677  0.499160  0.000389  1
  Si  Si194  1  0.166853  0.501157  0.333960  1
  Si  Si195  1  0.166772  0.499912  0.667025  1
  Si  Si196  1  0.167698  0.832285  0.999166  1
  Si  Si197  1  0.166909  0.833456  0.332851  1
  Si  Si198  1  0.167180  0.832888  0.665728  1
  Si  Si199  1  0.500442  0.166717  0.999672  1
  Si  Si200  1  0.499400  0.167151  0.333036  1
  Si  Si201  1  0.501935  0.167251  0.664527  1
  Si  Si202  1  0.500242  0.500240  0.000073  1
  Si  Si203  1  0.499660  0.500292  0.333649  1
  Si  Si204  1  0.500149  0.500251  0.666792  1
  Si  Si205  1  0.501435  0.832385  0.999464  1
  Si  Si206  1  0.499992  0.834371  0.333154  1
  Si  Si207  1  0.500327  0.833549  0.666238  1
  Si  Si208  1  0.832545  0.166905  0.001118  1
  Si  Si209  1  0.830447  0.167936  0.336713  1
  Si  Si210  1  0.833446  0.167028  0.666779  1
  Si  Si211  1  0.834023  0.499831  0.000249  1
  Si  Si212  1  0.832128  0.502165  0.334441  1
  Si  Si213  1  0.833379  0.500446  0.667574  1
  Si  Si214  1  0.833654  0.833188  0.999921  1
  Si  Si215  1  0.833531  0.833964  0.333231  1
  Si  Si216  1  0.833844  0.833992  0.666799  1
  Se  Se217  1  0.086195  0.169428  0.125045  1