# generated using pymatgen
data_Si215S
_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   Si215S
_chemical_formula_sum   'Si215 S1'
_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  0.249942  0.250081  0.417642  1
  Si  Si2  1  0.250121  0.249994  0.749067  1
  Si  Si3  1  0.250096  0.584138  0.083315  1
  Si  Si4  1  0.250203  0.583048  0.416319  1
  Si  Si5  1  0.249830  0.582921  0.750339  1
  Si  Si6  1  0.250015  0.915839  0.083317  1
  Si  Si7  1  0.249752  0.916914  0.416351  1
  Si  Si8  1  0.250222  0.916920  0.750294  1
  Si  Si9  1  0.584296  0.250009  0.083383  1
  Si  Si10  1  0.582949  0.250171  0.416398  1
  Si  Si11  1  0.583055  0.249752  0.750354  1
  Si  Si12  1  0.583003  0.582970  0.083596  1
  Si  Si13  1  0.583568  0.583541  0.416847  1
  Si  Si14  1  0.583590  0.583403  0.749960  1
  Si  Si15  1  0.583021  0.916978  0.083072  1
  Si  Si16  1  0.583187  0.916705  0.416695  1
  Si  Si17  1  0.583488  0.916365  0.749938  1
  Si  Si18  1  0.915814  0.250086  0.083322  1
  Si  Si19  1  0.916913  0.249778  0.416439  1
  Si  Si20  1  0.916948  0.250135  0.750432  1
  Si  Si21  1  0.917090  0.583062  0.083172  1
  Si  Si22  1  0.916485  0.583373  0.416703  1
  Si  Si23  1  0.916608  0.583533  0.749903  1
  Si  Si24  1  0.916982  0.916896  0.083630  1
  Si  Si25  1  0.916372  0.916597  0.416868  1
  Si  Si26  1  0.916778  0.916614  0.750015  1
  Si  Si27  1  0.000265  0.000168  0.999262  1
  Si  Si28  1  0.999756  0.999876  0.333544  1
  Si  Si29  1  0.999873  0.999980  0.666566  1
  Si  Si30  1  0.998599  0.333449  0.999886  1
  Si  Si31  1  0.000199  0.334130  0.333141  1
  Si  Si32  1  0.999773  0.333311  0.666635  1
  Si  Si33  1  0.999978  0.666862  0.000085  1
  Si  Si34  1  0.999850  0.666790  0.333520  1
  Si  Si35  1  0.000076  0.666662  0.666601  1
  Si  Si36  1  0.333466  0.998554  0.999888  1
  Si  Si37  1  0.334136  0.000196  0.333118  1
  Si  Si38  1  0.333209  0.999903  0.666509  1
  Si  Si39  1  0.336190  0.336123  0.997158  1
  Si  Si40  1  0.333362  0.333438  0.334849  1
  Si  Si41  1  0.333611  0.333486  0.666293  1
  Si  Si42  1  0.333550  0.666969  0.999881  1
  Si  Si43  1  0.333278  0.666844  0.333408  1
  Si  Si44  1  0.333378  0.666460  0.666894  1
  Si  Si45  1  0.666807  0.000030  0.000113  1
  Si  Si46  1  0.666683  0.999891  0.333423  1
  Si  Si47  1  0.666716  0.999837  0.666704  1
  Si  Si48  1  0.667105  0.333442  0.999876  1
  Si  Si49  1  0.666754  0.333300  0.333537  1
  Si  Si50  1  0.666387  0.333404  0.666817  1
  Si  Si51  1  0.666556  0.666356  0.000007  1
  Si  Si52  1  0.666806  0.666713  0.333327  1
  Si  Si53  1  0.666837  0.666873  0.666680  1
  Si  Si54  1  0.247851  0.082987  0.250427  1
  Si  Si55  1  0.249909  0.083196  0.583279  1
  Si  Si56  1  0.252148  0.082934  0.916268  1
  Si  Si57  1  0.252112  0.417015  0.250371  1
  Si  Si58  1  0.250100  0.416882  0.583371  1
  Si  Si59  1  0.247857  0.416952  0.916300  1
  Si  Si60  1  0.249914  0.750002  0.250157  1
  Si  Si61  1  0.249964  0.749878  0.583357  1
  Si  Si62  1  0.250129  0.749971  0.916496  1
  Si  Si63  1  0.583652  0.083419  0.249938  1
  Si  Si64  1  0.583393  0.083179  0.583421  1
  Si  Si65  1  0.583896  0.082886  0.916164  1
  Si  Si66  1  0.583873  0.417118  0.250537  1
  Si  Si67  1  0.583439  0.416772  0.583302  1
  Si  Si68  1  0.583746  0.416613  0.916740  1
  Si  Si69  1  0.583472  0.750030  0.250011  1
  Si  Si70  1  0.583449  0.750074  0.583352  1
  Si  Si71  1  0.583465  0.749852  0.916816  1
  Si  Si72  1  0.916040  0.082889  0.250506  1
  Si  Si73  1  0.916441  0.083386  0.583432  1
  Si  Si74  1  0.916358  0.083334  0.916822  1
  Si  Si75  1  0.916323  0.416615  0.249975  1
  Si  Si76  1  0.916427  0.416640  0.583365  1
  Si  Si77  1  0.916164  0.417186  0.916167  1
  Si  Si78  1  0.916554  0.749990  0.250102  1
  Si  Si79  1  0.916656  0.749993  0.583453  1
  Si  Si80  1  0.916560  0.750057  0.916776  1
  Si  Si81  1  0.998493  0.166609  0.166758  1
  Si  Si82  1  0.999840  0.166710  0.500212  1
  Si  Si83  1  0.000277  0.165781  0.833661  1
  Si  Si84  1  0.000307  0.499753  0.167560  1
  Si  Si85  1  0.999722  0.500061  0.500122  1
  Si  Si86  1  0.999925  0.500180  0.833178  1
  Si  Si87  1  0.999945  0.833176  0.166707  1
  Si  Si88  1  0.999858  0.833345  0.500106  1
  Si  Si89  1  0.999955  0.833088  0.833238  1
  Si  Si90  1  0.336271  0.163710  0.169611  1
  Si  Si91  1  0.333442  0.166625  0.500430  1
  Si  Si92  1  0.333451  0.166546  0.831878  1
  Si  Si93  1  0.333458  0.501392  0.166787  1
  Si  Si94  1  0.333335  0.500215  0.500165  1
  Si  Si95  1  0.334241  0.499659  0.833607  1
  Si  Si96  1  0.333397  0.832947  0.166775  1
  Si  Si97  1  0.333325  0.833408  0.499843  1
  Si  Si98  1  0.333384  0.833162  0.833199  1
  Si  Si99  1  0.667110  0.166604  0.166876  1
  Si  Si100  1  0.666356  0.166563  0.499928  1
  Si  Si101  1  0.666874  0.166651  0.833220  1
  Si  Si102  1  0.666754  0.500054  0.166659  1
  Si  Si103  1  0.666811  0.500152  0.500150  1
  Si  Si104  1  0.666904  0.500058  0.833226  1
  Si  Si105  1  0.666453  0.833437  0.166650  1
  Si  Si106  1  0.666609  0.833370  0.499976  1
  Si  Si107  1  0.666729  0.833272  0.833522  1
  Si  Si108  1  0.082914  0.247805  0.250420  1
  Si  Si109  1  0.083055  0.250072  0.583430  1
  Si  Si110  1  0.083032  0.252155  0.916292  1
  Si  Si111  1  0.083393  0.583732  0.249984  1
  Si  Si112  1  0.083318  0.583325  0.583189  1
  Si  Si113  1  0.082895  0.583900  0.916232  1
  Si  Si114  1  0.082827  0.916187  0.250517  1
  Si  Si115  1  0.083253  0.916656  0.583336  1
  Si  Si116  1  0.083387  0.916261  0.916732  1
  Si  Si117  1  0.416973  0.252107  0.250467  1
  Si  Si118  1  0.416964  0.249996  0.583363  1
  Si  Si119  1  0.417042  0.247832  0.916321  1
  Si  Si120  1  0.417148  0.583868  0.250523  1
  Si  Si121  1  0.416717  0.583526  0.583420  1
  Si  Si122  1  0.416718  0.583564  0.916764  1
  Si  Si123  1  0.416586  0.916318  0.249895  1
  Si  Si124  1  0.416537  0.916457  0.583381  1
  Si  Si125  1  0.417184  0.916077  0.916183  1
  Si  Si126  1  0.750031  0.250143  0.250226  1
  Si  Si127  1  0.749847  0.249898  0.583456  1
  Si  Si128  1  0.750068  0.249938  0.916506  1
  Si  Si129  1  0.750060  0.583274  0.250009  1
  Si  Si130  1  0.750101  0.583534  0.583417  1
  Si  Si131  1  0.750095  0.583430  0.916633  1
  Si  Si132  1  0.749836  0.916542  0.249932  1
  Si  Si133  1  0.749941  0.916542  0.583362  1
  Si  Si134  1  0.750022  0.916604  0.916879  1
  Si  Si135  1  0.166597  0.998592  0.166777  1
  Si  Si136  1  0.166665  0.999902  0.500066  1
  Si  Si137  1  0.165837  0.000179  0.833565  1
  Si  Si138  1  0.163730  0.336178  0.169632  1
  Si  Si139  1  0.166506  0.333525  0.500494  1
  Si  Si140  1  0.166662  0.333353  0.831810  1
  Si  Si141  1  0.166598  0.666981  0.166737  1
  Si  Si142  1  0.166568  0.666474  0.499799  1
  Si  Si143  1  0.166800  0.666745  0.833267  1
  Si  Si144  1  0.499765  0.000243  0.167475  1
  Si  Si145  1  0.499967  0.999842  0.500243  1
  Si  Si146  1  0.500197  0.999785  0.833162  1
  Si  Si147  1  0.501469  0.333305  0.166860  1
  Si  Si148  1  0.500086  0.333363  0.500099  1
  Si  Si149  1  0.499813  0.334150  0.833616  1
  Si  Si150  1  0.500108  0.666778  0.166701  1
  Si  Si151  1  0.500106  0.666771  0.500091  1
  Si  Si152  1  0.500240  0.666652  0.833303  1
  Si  Si153  1  0.833202  0.999850  0.166681  1
  Si  Si154  1  0.833112  0.000034  0.500112  1
  Si  Si155  1  0.833291  0.999774  0.833343  1
  Si  Si156  1  0.832955  0.333559  0.166731  1
  Si  Si157  1  0.833393  0.333267  0.499980  1
  Si  Si158  1  0.833214  0.333301  0.833272  1
  Si  Si159  1  0.833551  0.666432  0.166823  1
  Si  Si160  1  0.833292  0.666826  0.500046  1
  Si  Si161  1  0.833349  0.666756  0.833336  1
  Si  Si162  1  0.082948  0.082984  0.085525  1
  Si  Si163  1  0.082794  0.082897  0.417235  1
  Si  Si164  1  0.083415  0.083416  0.749670  1
  Si  Si165  1  0.083015  0.417019  0.081193  1
  Si  Si166  1  0.083303  0.416626  0.417056  1
  Si  Si167  1  0.082880  0.417114  0.749449  1
  Si  Si168  1  0.083284  0.750094  0.083347  1
  Si  Si169  1  0.083241  0.750027  0.416850  1
  Si  Si170  1  0.083470  0.749943  0.749899  1
  Si  Si171  1  0.417081  0.082985  0.081152  1
  Si  Si172  1  0.416515  0.083344  0.417098  1
  Si  Si173  1  0.417124  0.082782  0.749454  1
  Si  Si174  1  0.417037  0.416892  0.085557  1
  Si  Si175  1  0.417106  0.417215  0.417228  1
  Si  Si176  1  0.416778  0.416653  0.749647  1
  Si  Si177  1  0.416843  0.749941  0.083414  1
  Si  Si178  1  0.416676  0.750016  0.416790  1
  Si  Si179  1  0.416740  0.749787  0.749991  1
  Si  Si180  1  0.750078  0.083212  0.083452  1
  Si  Si181  1  0.749790  0.083385  0.416769  1
  Si  Si182  1  0.750079  0.083148  0.750001  1
  Si  Si183  1  0.750022  0.416955  0.083260  1
  Si  Si184  1  0.749988  0.416600  0.416933  1
  Si  Si185  1  0.749986  0.416578  0.749842  1
  Si  Si186  1  0.750010  0.749839  0.083431  1
  Si  Si187  1  0.749939  0.750100  0.416708  1
  Si  Si188  1  0.750090  0.750163  0.750112  1
  Si  Si189  1  0.163769  0.163705  0.997086  1
  Si  Si190  1  0.166595  0.166620  0.334871  1
  Si  Si191  1  0.166530  0.166610  0.666296  1
  Si  Si192  1  0.166650  0.501421  0.999922  1
  Si  Si193  1  0.165797  0.499745  0.333110  1
  Si  Si194  1  0.166703  0.500073  0.666513  1
  Si  Si195  1  0.166665  0.832970  0.999840  1
  Si  Si196  1  0.166619  0.833184  0.333434  1
  Si  Si197  1  0.166599  0.833503  0.666771  1
  Si  Si198  1  0.501527  0.166626  0.999941  1
  Si  Si199  1  0.499680  0.165757  0.333169  1
  Si  Si200  1  0.500133  0.166629  0.666604  1
  Si  Si201  1  0.499774  0.499637  0.999262  1
  Si  Si202  1  0.500214  0.500194  0.333565  1
  Si  Si203  1  0.500219  0.500212  0.666551  1
  Si  Si204  1  0.500073  0.833135  0.000074  1
  Si  Si205  1  0.500058  0.833213  0.333410  1
  Si  Si206  1  0.499986  0.833189  0.666664  1
  Si  Si207  1  0.833030  0.166545  0.999948  1
  Si  Si208  1  0.833127  0.166727  0.333495  1
  Si  Si209  1  0.833405  0.166583  0.666960  1
  Si  Si210  1  0.833321  0.500187  0.000022  1
  Si  Si211  1  0.833147  0.499987  0.333520  1
  Si  Si212  1  0.833292  0.500097  0.666687  1
  Si  Si213  1  0.833450  0.833440  0.000083  1
  Si  Si214  1  0.833205  0.833353  0.333352  1
  Si  Si215  1  0.833356  0.833349  0.666685  1
  S  S216  1  0.249992  0.249828  0.083416  1