# generated using pymatgen
data_Si215I
_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   Si215I
_chemical_formula_sum   'Si215 I1'
_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  0.250194  0.249804  0.417279  1
  Si  Si2  1  0.250007  0.249977  0.749198  1
  Si  Si3  1  0.250198  0.583916  0.083159  1
  Si  Si4  1  0.249947  0.584474  0.417859  1
  Si  Si5  1  0.249901  0.584445  0.748826  1
  Si  Si6  1  0.250047  0.915844  0.083344  1
  Si  Si7  1  0.249918  0.915481  0.417799  1
  Si  Si8  1  0.249894  0.915608  0.748963  1
  Si  Si9  1  0.584154  0.249999  0.083330  1
  Si  Si10  1  0.584515  0.250055  0.417826  1
  Si  Si11  1  0.584415  0.250084  0.748952  1
  Si  Si12  1  0.584542  0.584416  0.083441  1
  Si  Si13  1  0.583129  0.583392  0.416752  1
  Si  Si14  1  0.583172  0.583255  0.750200  1
  Si  Si15  1  0.584373  0.915615  0.083461  1
  Si  Si16  1  0.583184  0.916890  0.416632  1
  Si  Si17  1  0.582978  0.916939  0.750330  1
  Si  Si18  1  0.916099  0.249753  0.083155  1
  Si  Si19  1  0.915493  0.250046  0.417850  1
  Si  Si20  1  0.915520  0.250065  0.748845  1
  Si  Si21  1  0.915508  0.584459  0.083391  1
  Si  Si22  1  0.917051  0.582972  0.416311  1
  Si  Si23  1  0.916710  0.583337  0.750242  1
  Si  Si24  1  0.915542  0.915476  0.083414  1
  Si  Si25  1  0.916701  0.916895  0.416645  1
  Si  Si26  1  0.916723  0.916823  0.750186  1
  Si  Si27  1  0.998688  0.998069  0.999572  1
  Si  Si28  1  0.000090  0.000371  0.333230  1
  Si  Si29  1  0.999909  0.999910  0.666545  1
  Si  Si30  1  0.998884  0.333297  0.000119  1
  Si  Si31  1  0.999242  0.332680  0.334132  1
  Si  Si32  1  0.999789  0.333307  0.666421  1
  Si  Si33  1  0.999573  0.667040  0.000149  1
  Si  Si34  1  0.000488  0.666136  0.332848  1
  Si  Si35  1  0.999929  0.666442  0.666542  1
  Si  Si36  1  0.332908  0.000036  0.000440  1
  Si  Si37  1  0.333746  0.998109  0.334679  1
  Si  Si38  1  0.333246  0.000053  0.666671  1
  Si  Si39  1  0.349756  0.351682  0.983524  1
  Si  Si40  1  0.333244  0.333318  0.334475  1
  Si  Si41  1  0.333364  0.333409  0.666369  1
  Si  Si42  1  0.333606  0.666969  0.999792  1
  Si  Si43  1  0.333229  0.667039  0.333819  1
  Si  Si44  1  0.333252  0.667486  0.666276  1
  Si  Si45  1  0.666649  0.000051  0.000097  1
  Si  Si46  1  0.666834  0.999931  0.333416  1
  Si  Si47  1  0.666444  0.000120  0.666871  1
  Si  Si48  1  0.667047  0.333398  0.999996  1
  Si  Si49  1  0.666911  0.333346  0.333561  1
  Si  Si50  1  0.666955  0.333744  0.666410  1
  Si  Si51  1  0.667054  0.667478  0.000063  1
  Si  Si52  1  0.666811  0.666467  0.333463  1
  Si  Si53  1  0.666559  0.666752  0.666837  1
  Si  Si54  1  0.248172  0.080164  0.253922  1
  Si  Si55  1  0.250088  0.083263  0.583517  1
  Si  Si56  1  0.250770  0.080645  0.913981  1
  Si  Si57  1  0.251420  0.418831  0.252214  1
  Si  Si58  1  0.249867  0.416723  0.583502  1
  Si  Si59  1  0.248185  0.420543  0.913489  1
  Si  Si60  1  0.249884  0.750130  0.250139  1
  Si  Si61  1  0.249719  0.750244  0.583609  1
  Si  Si62  1  0.250082  0.750143  0.916603  1
  Si  Si63  1  0.583931  0.083095  0.249941  1
  Si  Si64  1  0.583080  0.083301  0.583560  1
  Si  Si65  1  0.583266  0.083552  0.916951  1
  Si  Si66  1  0.583754  0.416918  0.250302  1
  Si  Si67  1  0.583440  0.416843  0.583207  1
  Si  Si68  1  0.583958  0.416598  0.916424  1
  Si  Si69  1  0.583373  0.749859  0.250205  1
  Si  Si70  1  0.583165  0.750155  0.583501  1
  Si  Si71  1  0.583091  0.750190  0.916677  1
  Si  Si72  1  0.916173  0.083322  0.250345  1
  Si  Si73  1  0.916395  0.083465  0.583554  1
  Si  Si74  1  0.916910  0.083318  0.916665  1
  Si  Si75  1  0.917522  0.416173  0.249525  1
  Si  Si76  1  0.916812  0.416755  0.583052  1
  Si  Si77  1  0.916201  0.416972  0.916710  1
  Si  Si78  1  0.916765  0.749681  0.250067  1
  Si  Si79  1  0.916627  0.750030  0.583250  1
  Si  Si80  1  0.916425  0.750188  0.916825  1
  Si  Si81  1  0.998881  0.166726  0.166697  1
  Si  Si82  1  0.999542  0.166777  0.500411  1
  Si  Si83  1  0.998687  0.166252  0.831441  1
  Si  Si84  1  0.999277  0.500730  0.166008  1
  Si  Si85  1  0.000496  0.499506  0.499457  1
  Si  Si86  1  0.000081  0.499888  0.833726  1
  Si  Si87  1  0.999807  0.833055  0.166673  1
  Si  Si88  1  0.999984  0.833247  0.499734  1
  Si  Si89  1  0.999916  0.833212  0.833283  1
  Si  Si90  1  0.349677  0.150276  0.185019  1
  Si  Si91  1  0.333602  0.166458  0.500346  1
  Si  Si92  1  0.332906  0.167078  0.833352  1
  Si  Si93  1  0.333229  0.501070  0.166664  1
  Si  Si94  1  0.333219  0.500427  0.500416  1
  Si  Si95  1  0.333756  0.501324  0.831443  1
  Si  Si96  1  0.333386  0.832989  0.166798  1
  Si  Si97  1  0.333246  0.832915  0.500840  1
  Si  Si98  1  0.333235  0.833321  0.833429  1
  Si  Si99  1  0.667015  0.166658  0.166753  1
  Si  Si100  1  0.667052  0.166682  0.500869  1
  Si  Si101  1  0.666647  0.166710  0.833431  1
  Si  Si102  1  0.666931  0.500130  0.166710  1
  Si  Si103  1  0.666840  0.500135  0.499812  1
  Si  Si104  1  0.666856  0.500092  0.833253  1
  Si  Si105  1  0.666895  0.833044  0.167093  1
  Si  Si106  1  0.666565  0.833504  0.500113  1
  Si  Si107  1  0.666462  0.833506  0.833498  1
  Si  Si108  1  0.081096  0.248553  0.252263  1
  Si  Si109  1  0.083226  0.250122  0.583478  1
  Si  Si110  1  0.079455  0.251787  0.913537  1
  Si  Si111  1  0.083820  0.582489  0.249532  1
  Si  Si112  1  0.083204  0.583188  0.583085  1
  Si  Si113  1  0.082994  0.583751  0.916723  1
  Si  Si114  1  0.083072  0.916221  0.250242  1
  Si  Si115  1  0.083202  0.916633  0.583208  1
  Si  Si116  1  0.083456  0.916085  0.916403  1
  Si  Si117  1  0.419806  0.251792  0.253903  1
  Si  Si118  1  0.416788  0.249954  0.583550  1
  Si  Si119  1  0.419394  0.249231  0.913916  1
  Si  Si120  1  0.416633  0.583730  0.250381  1
  Si  Si121  1  0.416550  0.583618  0.583527  1
  Si  Si122  1  0.416633  0.583078  0.916745  1
  Si  Si123  1  0.416957  0.916122  0.249949  1
  Si  Si124  1  0.416646  0.916852  0.583535  1
  Si  Si125  1  0.416371  0.916670  0.916974  1
  Si  Si126  1  0.749856  0.250132  0.250127  1
  Si  Si127  1  0.749741  0.250223  0.583614  1
  Si  Si128  1  0.749840  0.249874  0.916595  1
  Si  Si129  1  0.750248  0.583202  0.250141  1
  Si  Si130  1  0.750125  0.583461  0.583367  1
  Si  Si131  1  0.749850  0.583595  0.916822  1
  Si  Si132  1  0.750119  0.916570  0.250148  1
  Si  Si133  1  0.749917  0.916898  0.583488  1
  Si  Si134  1  0.749770  0.916842  0.916682  1
  Si  Si135  1  0.166650  0.999015  0.166674  1
  Si  Si136  1  0.166727  0.999964  0.500185  1
  Si  Si137  1  0.166313  0.998311  0.831628  1
  Si  Si138  1  0.152084  0.347841  0.181268  1
  Si  Si139  1  0.166600  0.333377  0.500283  1
  Si  Si140  1  0.166626  0.333333  0.832355  1
  Si  Si141  1  0.166619  0.666931  0.166762  1
  Si  Si142  1  0.166627  0.667300  0.500726  1
  Si  Si143  1  0.166692  0.666835  0.833304  1
  Si  Si144  1  0.501737  0.998318  0.167055  1
  Si  Si145  1  0.499859  0.000113  0.500162  1
  Si  Si146  1  0.499472  0.000444  0.833846  1
  Si  Si147  1  0.500973  0.333345  0.166716  1
  Si  Si148  1  0.500086  0.333303  0.500204  1
  Si  Si149  1  0.501767  0.333713  0.831613  1
  Si  Si150  1  0.500075  0.666771  0.166686  1
  Si  Si151  1  0.499784  0.666777  0.500119  1
  Si  Si152  1  0.499885  0.666797  0.833458  1
  Si  Si153  1  0.833132  0.999916  0.166622  1
  Si  Si154  1  0.833321  0.000231  0.500073  1
  Si  Si155  1  0.833134  0.000066  0.833440  1
  Si  Si156  1  0.833110  0.333335  0.166758  1
  Si  Si157  1  0.832642  0.333353  0.500718  1
  Si  Si158  1  0.833152  0.333264  0.833309  1
  Si  Si159  1  0.832610  0.667307  0.166685  1
  Si  Si160  1  0.833584  0.666493  0.499799  1
  Si  Si161  1  0.833317  0.666720  0.833597  1
  Si  Si162  1  0.079440  0.080174  0.085123  1
  Si  Si163  1  0.082972  0.083339  0.417143  1
  Si  Si164  1  0.083412  0.083068  0.749428  1
  Si  Si165  1  0.081144  0.418832  0.081919  1
  Si  Si166  1  0.083841  0.416178  0.415835  1
  Si  Si167  1  0.083036  0.416881  0.749574  1
  Si  Si168  1  0.083260  0.750124  0.083491  1
  Si  Si169  1  0.083254  0.749691  0.416568  1
  Si  Si170  1  0.083153  0.749865  0.749967  1
  Si  Si171  1  0.419367  0.080640  0.082592  1
  Si  Si172  1  0.416607  0.083410  0.416440  1
  Si  Si173  1  0.416380  0.083560  0.750048  1
  Si  Si174  1  0.419809  0.420526  0.085120  1
  Si  Si175  1  0.416664  0.416997  0.417152  1
  Si  Si176  1  0.416965  0.416616  0.749432  1
  Si  Si177  1  0.416800  0.750125  0.083352  1
  Si  Si178  1  0.416565  0.750194  0.416962  1
  Si  Si179  1  0.416645  0.750166  0.750241  1
  Si  Si180  1  0.749812  0.083220  0.083280  1
  Si  Si181  1  0.749829  0.083440  0.416972  1
  Si  Si182  1  0.749759  0.083299  0.750231  1
  Si  Si183  1  0.749897  0.416693  0.083532  1
  Si  Si184  1  0.750282  0.416795  0.416583  1
  Si  Si185  1  0.750184  0.416810  0.749945  1
  Si  Si186  1  0.749723  0.750254  0.083587  1
  Si  Si187  1  0.750096  0.750045  0.416776  1
  Si  Si188  1  0.749908  0.750114  0.750243  1
  Si  Si189  1  0.148375  0.150312  0.983654  1
  Si  Si190  1  0.166660  0.166754  0.334492  1
  Si  Si191  1  0.166582  0.166655  0.666327  1
  Si  Si192  1  0.166692  0.501082  0.000133  1
  Si  Si193  1  0.167334  0.500741  0.334089  1
  Si  Si194  1  0.166629  0.500147  0.666434  1
  Si  Si195  1  0.166612  0.832981  0.000005  1
  Si  Si196  1  0.166650  0.833081  0.333529  1
  Si  Si197  1  0.166238  0.833064  0.666431  1
  Si  Si198  1  0.499968  0.167094  0.000426  1
  Si  Si199  1  0.501894  0.166258  0.334660  1
  Si  Si200  1  0.499908  0.166727  0.666716  1
  Si  Si201  1  0.501914  0.501303  0.999605  1
  Si  Si202  1  0.499653  0.499930  0.333323  1
  Si  Si203  1  0.500105  0.500099  0.666522  1
  Si  Si204  1  0.499902  0.833326  0.000138  1
  Si  Si205  1  0.500090  0.833233  0.333460  1
  Si  Si206  1  0.499808  0.833493  0.666871  1
  Si  Si207  1  0.833049  0.166359  0.999755  1
  Si  Si208  1  0.832932  0.166780  0.333791  1
  Si  Si209  1  0.832481  0.166699  0.666316  1
  Si  Si210  1  0.832939  0.500384  0.000153  1
  Si  Si211  1  0.833877  0.499512  0.332863  1
  Si  Si212  1  0.833642  0.500061  0.666574  1
  Si  Si213  1  0.832501  0.832928  0.000069  1
  Si  Si214  1  0.833610  0.833231  0.333376  1
  Si  Si215  1  0.833276  0.833442  0.666794  1
  I  I216  1  0.260645  0.239471  0.072839  1