# generated using pymatgen
data_ScSi215
_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   ScSi215
_chemical_formula_sum   'Sc1 Si215'
_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
  Sc  Sc1  1  0.250001  0.250000  0.083332  1
  Si  Si2  1  0.250000  0.250000  0.416576  1
  Si  Si3  1  0.250000  0.250000  0.750090  1
  Si  Si4  1  0.250000  0.583243  0.083333  1
  Si  Si5  1  0.250105  0.584673  0.418006  1
  Si  Si6  1  0.249895  0.584673  0.748660  1
  Si  Si7  1  0.250000  0.916757  0.083333  1
  Si  Si8  1  0.249895  0.915327  0.418006  1
  Si  Si9  1  0.250105  0.915327  0.748660  1
  Si  Si10  1  0.583243  0.250000  0.083333  1
  Si  Si11  1  0.584673  0.250105  0.418006  1
  Si  Si12  1  0.584673  0.249895  0.748660  1
  Si  Si13  1  0.584673  0.584673  0.083439  1
  Si  Si14  1  0.583195  0.583195  0.416517  1
  Si  Si15  1  0.583168  0.583168  0.750165  1
  Si  Si16  1  0.584672  0.915328  0.083226  1
  Si  Si17  1  0.583171  0.916829  0.416505  1
  Si  Si18  1  0.583191  0.916809  0.750148  1
  Si  Si19  1  0.916757  0.250000  0.083333  1
  Si  Si20  1  0.915327  0.249895  0.418006  1
  Si  Si21  1  0.915327  0.250105  0.748660  1
  Si  Si22  1  0.915328  0.584672  0.083226  1
  Si  Si23  1  0.916829  0.583171  0.416505  1
  Si  Si24  1  0.916809  0.583191  0.750148  1
  Si  Si25  1  0.915327  0.915327  0.083439  1
  Si  Si26  1  0.916805  0.916805  0.416517  1
  Si  Si27  1  0.916832  0.916832  0.750165  1
  Si  Si28  1  -0.001780  -0.001780  0.000689  1
  Si  Si29  1  0.000153  0.000153  0.333179  1
  Si  Si30  1  0.000137  0.000137  0.666888  1
  Si  Si31  1  0.000172  0.333209  0.000124  1
  Si  Si32  1  -0.001780  0.332644  0.335112  1
  Si  Si33  1  -0.000061  0.333327  0.666527  1
  Si  Si34  1  -0.000060  0.666805  0.000006  1
  Si  Si35  1  0.000136  0.666442  0.333197  1
  Si  Si36  1  0.000107  0.666546  0.666790  1
  Si  Si37  1  0.333209  0.000172  0.000124  1
  Si  Si38  1  0.332644  -0.001780  0.335112  1
  Si  Si39  1  0.333327  -0.000061  0.666527  1
  Si  Si40  1  0.341739  0.341739  -0.008406  1
  Si  Si41  1  0.333210  0.333210  0.333161  1
  Si  Si42  1  0.333318  0.333318  0.666716  1
  Si  Si43  1  0.333318  0.666618  0.000015  1
  Si  Si44  1  0.333327  0.666805  0.333394  1
  Si  Si45  1  0.333406  0.667260  0.666072  1
  Si  Si46  1  0.666805  -0.000060  0.000006  1
  Si  Si47  1  0.666442  0.000136  0.333197  1
  Si  Si48  1  0.666546  0.000107  0.666790  1
  Si  Si49  1  0.666618  0.333318  0.000015  1
  Si  Si50  1  0.666805  0.333327  0.333394  1
  Si  Si51  1  0.667260  0.333406  0.666072  1
  Si  Si52  1  0.667259  0.667259  -0.000071  1
  Si  Si53  1  0.666554  0.666554  0.333220  1
  Si  Si54  1  0.666577  0.666577  0.666763  1
  Si  Si55  1  0.250422  0.081114  0.252219  1
  Si  Si56  1  0.250000  0.083426  0.583333  1
  Si  Si57  1  0.249578  0.081114  0.914447  1
  Si  Si58  1  0.249578  0.418886  0.252218  1
  Si  Si59  1  0.250000  0.416574  0.583333  1
  Si  Si60  1  0.250422  0.418886  0.914447  1
  Si  Si61  1  0.250000  0.750000  0.249907  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916759  1
  Si  Si64  1  0.583061  0.083426  0.249906  1
  Si  Si65  1  0.583228  0.083328  0.583235  1
  Si  Si66  1  0.583284  0.083518  0.916851  1
  Si  Si67  1  0.583283  0.416482  0.249815  1
  Si  Si68  1  0.583230  0.416670  0.583428  1
  Si  Si69  1  0.583061  0.416573  0.916760  1
  Si  Si70  1  0.583229  0.750099  0.250001  1
  Si  Si71  1  0.583177  0.750000  0.583345  1
  Si  Si72  1  0.583228  0.749901  0.916663  1
  Si  Si73  1  0.916717  0.083518  0.249815  1
  Si  Si74  1  0.916770  0.083330  0.583428  1
  Si  Si75  1  0.916939  0.083427  0.916760  1
  Si  Si76  1  0.916939  0.416574  0.249906  1
  Si  Si77  1  0.916772  0.416672  0.583235  1
  Si  Si78  1  0.916716  0.416482  0.916851  1
  Si  Si79  1  0.916771  0.749901  0.250001  1
  Si  Si80  1  0.916823  0.750000  0.583345  1
  Si  Si81  1  0.916772  0.750099  0.916663  1
  Si  Si82  1  0.000172  0.166791  0.166542  1
  Si  Si83  1  -0.000060  0.166674  0.500138  1
  Si  Si84  1  -0.001780  0.167356  0.831553  1
  Si  Si85  1  -0.001780  0.501780  0.165976  1
  Si  Si86  1  0.000136  0.499864  0.499775  1
  Si  Si87  1  0.000154  0.499846  0.833488  1
  Si  Si88  1  -0.000060  0.833195  0.166659  1
  Si  Si89  1  0.000102  0.833448  0.499884  1
  Si  Si90  1  0.000137  0.833558  0.833470  1
  Si  Si91  1  0.341738  0.158262  0.175071  1
  Si  Si92  1  0.333318  0.166682  0.499951  1
  Si  Si93  1  0.333210  0.166790  0.833505  1
  Si  Si94  1  0.333209  0.499828  0.166542  1
  Si  Si95  1  0.333326  0.500060  0.500138  1
  Si  Si96  1  0.332644  0.501780  0.831553  1
  Si  Si97  1  0.333318  0.833382  0.166651  1
  Si  Si98  1  0.333405  0.832740  0.500593  1
  Si  Si99  1  0.333326  0.833194  0.833272  1
  Si  Si100  1  0.666618  0.166682  0.166651  1
  Si  Si101  1  0.667260  0.166595  0.500593  1
  Si  Si102  1  0.666806  0.166674  0.833272  1
  Si  Si103  1  0.666805  0.500060  0.166659  1
  Si  Si104  1  0.666552  0.499898  0.499884  1
  Si  Si105  1  0.666442  0.499863  0.833470  1
  Si  Si106  1  0.667259  0.832741  0.166736  1
  Si  Si107  1  0.666577  0.833423  0.499918  1
  Si  Si108  1  0.666553  0.833447  0.833447  1
  Si  Si109  1  0.081115  0.250422  0.252218  1
  Si  Si110  1  0.083426  0.250000  0.583333  1
  Si  Si111  1  0.081114  0.249578  0.914447  1
  Si  Si112  1  0.083426  0.583061  0.249906  1
  Si  Si113  1  0.083328  0.583228  0.583235  1
  Si  Si114  1  0.083518  0.583284  0.916851  1
  Si  Si115  1  0.083518  0.916717  0.249815  1
  Si  Si116  1  0.083330  0.916770  0.583428  1
  Si  Si117  1  0.083427  0.916939  0.916760  1
  Si  Si118  1  0.418886  0.249578  0.252219  1
  Si  Si119  1  0.416574  0.250000  0.583333  1
  Si  Si120  1  0.418886  0.250422  0.914447  1
  Si  Si121  1  0.416482  0.583283  0.249815  1
  Si  Si122  1  0.416670  0.583230  0.583428  1
  Si  Si123  1  0.416573  0.583061  0.916760  1
  Si  Si124  1  0.416574  0.916939  0.249906  1
  Si  Si125  1  0.416672  0.916772  0.583235  1
  Si  Si126  1  0.416482  0.916716  0.916851  1
  Si  Si127  1  0.750000  0.250000  0.249907  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916759  1
  Si  Si130  1  0.750099  0.583229  0.250001  1
  Si  Si131  1  0.750000  0.583177  0.583345  1
  Si  Si132  1  0.749901  0.583228  0.916663  1
  Si  Si133  1  0.749901  0.916771  0.250001  1
  Si  Si134  1  0.750000  0.916823  0.583345  1
  Si  Si135  1  0.750099  0.916772  0.916663  1
  Si  Si136  1  0.166791  0.000172  0.166542  1
  Si  Si137  1  0.166674  -0.000060  0.500138  1
  Si  Si138  1  0.167356  -0.001780  0.831553  1
  Si  Si139  1  0.158262  0.341738  0.175070  1
  Si  Si140  1  0.166682  0.333318  0.499951  1
  Si  Si141  1  0.166790  0.333210  0.833505  1
  Si  Si142  1  0.166682  0.666618  0.166651  1
  Si  Si143  1  0.166594  0.667260  0.500593  1
  Si  Si144  1  0.166674  0.666806  0.833272  1
  Si  Si145  1  0.501780  -0.001780  0.165976  1
  Si  Si146  1  0.499864  0.000136  0.499775  1
  Si  Si147  1  0.499846  0.000154  0.833488  1
  Si  Si148  1  0.499828  0.333209  0.166542  1
  Si  Si149  1  0.500060  0.333326  0.500138  1
  Si  Si150  1  0.501780  0.332644  0.831553  1
  Si  Si151  1  0.500060  0.666805  0.166659  1
  Si  Si152  1  0.499898  0.666552  0.499884  1
  Si  Si153  1  0.499863  0.666442  0.833470  1
  Si  Si154  1  0.833195  -0.000060  0.166659  1
  Si  Si155  1  0.833448  0.000102  0.499884  1
  Si  Si156  1  0.833558  0.000137  0.833470  1
  Si  Si157  1  0.833382  0.333318  0.166651  1
  Si  Si158  1  0.832740  0.333406  0.500593  1
  Si  Si159  1  0.833194  0.333326  0.833272  1
  Si  Si160  1  0.832741  0.667259  0.166736  1
  Si  Si161  1  0.833423  0.666577  0.499918  1
  Si  Si162  1  0.833447  0.666553  0.833447  1
  Si  Si163  1  0.081114  0.081114  0.082911  1
  Si  Si164  1  0.083517  0.083517  0.416616  1
  Si  Si165  1  0.083426  0.083426  0.750272  1
  Si  Si166  1  0.081114  0.418886  0.083754  1
  Si  Si167  1  0.083427  0.416573  0.416394  1
  Si  Si168  1  0.083517  0.416483  0.750049  1
  Si  Si169  1  0.083426  0.750000  0.083333  1
  Si  Si170  1  0.083327  0.749902  0.416562  1
  Si  Si171  1  0.083330  0.750098  0.750105  1
  Si  Si172  1  0.418886  0.081114  0.083754  1
  Si  Si173  1  0.416573  0.083427  0.416394  1
  Si  Si174  1  0.416483  0.083517  0.750049  1
  Si  Si175  1  0.418886  0.418886  0.082911  1
  Si  Si176  1  0.416483  0.416483  0.416616  1
  Si  Si177  1  0.416574  0.416574  0.750272  1
  Si  Si178  1  0.416574  0.750000  0.083333  1
  Si  Si179  1  0.416673  0.750098  0.416562  1
  Si  Si180  1  0.416670  0.749902  0.750105  1
  Si  Si181  1  0.750000  0.083426  0.083333  1
  Si  Si182  1  0.749902  0.083327  0.416562  1
  Si  Si183  1  0.750098  0.083330  0.750105  1
  Si  Si184  1  0.750000  0.416574  0.083333  1
  Si  Si185  1  0.750098  0.416673  0.416562  1
  Si  Si186  1  0.749902  0.416670  0.750105  1
  Si  Si187  1  0.750000  0.750000  0.083319  1
  Si  Si188  1  0.750000  0.750000  0.416514  1
  Si  Si189  1  0.750000  0.750000  0.750160  1
  Si  Si190  1  0.158262  0.158262  -0.008406  1
  Si  Si191  1  0.166790  0.166790  0.333161  1
  Si  Si192  1  0.166682  0.166682  0.666716  1
  Si  Si193  1  0.166791  0.499828  0.000124  1
  Si  Si194  1  0.167356  0.501780  0.335112  1
  Si  Si195  1  0.166673  0.500061  0.666527  1
  Si  Si196  1  0.166682  0.833382  0.000015  1
  Si  Si197  1  0.166673  0.833195  0.333394  1
  Si  Si198  1  0.166594  0.832740  0.666072  1
  Si  Si199  1  0.499828  0.166791  0.000124  1
  Si  Si200  1  0.501780  0.167356  0.335112  1
  Si  Si201  1  0.500061  0.166673  0.666527  1
  Si  Si202  1  0.501780  0.501780  0.000689  1
  Si  Si203  1  0.499847  0.499847  0.333179  1
  Si  Si204  1  0.499863  0.499863  0.666888  1
  Si  Si205  1  0.500060  0.833195  0.000006  1
  Si  Si206  1  0.499864  0.833558  0.333197  1
  Si  Si207  1  0.499893  0.833454  0.666790  1
  Si  Si208  1  0.833382  0.166682  0.000015  1
  Si  Si209  1  0.833195  0.166673  0.333394  1
  Si  Si210  1  0.832740  0.166594  0.666072  1
  Si  Si211  1  0.833195  0.500060  0.000006  1
  Si  Si212  1  0.833558  0.499864  0.333197  1
  Si  Si213  1  0.833454  0.499893  0.666790  1
  Si  Si214  1  0.832741  0.832741  -0.000071  1
  Si  Si215  1  0.833446  0.833446  0.333220  1
  Si  Si216  1  0.833423  0.833423  0.666763  1
