# 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  0.250000  0.250002  0.083333  1
  Si  Si2  1  0.250000  0.250000  0.416794  1
  Si  Si3  1  0.250000  0.250000  0.749873  1
  Si  Si4  1  0.250000  0.583461  0.083333  1
  Si  Si5  1  0.250165  0.584615  0.417948  1
  Si  Si6  1  0.249835  0.584615  0.748719  1
  Si  Si7  1  0.250000  0.916539  0.083333  1
  Si  Si8  1  0.249835  0.915386  0.417948  1
  Si  Si9  1  0.250165  0.915385  0.748719  1
  Si  Si10  1  0.583461  0.250000  0.083333  1
  Si  Si11  1  0.584614  0.250165  0.417948  1
  Si  Si12  1  0.584615  0.249835  0.748719  1
  Si  Si13  1  0.584614  0.584614  0.083499  1
  Si  Si14  1  0.583213  0.583213  0.416542  1
  Si  Si15  1  0.583164  0.583164  0.750170  1
  Si  Si16  1  0.584614  0.915386  0.083168  1
  Si  Si17  1  0.583164  0.916836  0.416497  1
  Si  Si18  1  0.583213  0.916787  0.750125  1
  Si  Si19  1  0.916539  0.250000  0.083333  1
  Si  Si20  1  0.915385  0.249835  0.417948  1
  Si  Si21  1  0.915385  0.250165  0.748719  1
  Si  Si22  1  0.915386  0.584614  0.083168  1
  Si  Si23  1  0.916836  0.583164  0.416497  1
  Si  Si24  1  0.916787  0.583213  0.750125  1
  Si  Si25  1  0.915386  0.915386  0.083499  1
  Si  Si26  1  0.916787  0.916787  0.416542  1
  Si  Si27  1  0.916836  0.916836  0.750170  1
  Si  Si28  1  -0.001777  -0.001777  0.000506  1
  Si  Si29  1  0.000143  0.000143  0.333189  1
  Si  Si30  1  0.000113  0.000113  0.666843  1
  Si  Si31  1  -0.000084  0.333235  0.000098  1
  Si  Si32  1  -0.001777  0.332827  0.335110  1
  Si  Si33  1  -0.000061  0.333316  0.666504  1
  Si  Si34  1  -0.000060  0.666830  0.000017  1
  Si  Si35  1  0.000113  0.666490  0.333221  1
  Si  Si36  1  0.000100  0.666551  0.666783  1
  Si  Si37  1  0.333235  -0.000084  0.000098  1
  Si  Si38  1  0.332827  -0.001777  0.335110  1
  Si  Si39  1  0.333316  -0.000061  0.666504  1
  Si  Si40  1  0.342064  0.342064  -0.008731  1
  Si  Si41  1  0.333235  0.333235  0.333417  1
  Si  Si42  1  0.333334  0.333334  0.666623  1
  Si  Si43  1  0.333334  0.666710  -0.000000  1
  Si  Si44  1  0.333316  0.666830  0.333394  1
  Si  Si45  1  0.333464  0.667223  0.666110  1
  Si  Si46  1  0.666830  -0.000061  0.000017  1
  Si  Si47  1  0.666490  0.000113  0.333221  1
  Si  Si48  1  0.666551  0.000100  0.666783  1
  Si  Si49  1  0.666710  0.333334  -0.000000  1
  Si  Si50  1  0.666830  0.333316  0.333394  1
  Si  Si51  1  0.667223  0.333464  0.666110  1
  Si  Si52  1  0.667223  0.667223  -0.000130  1
  Si  Si53  1  0.666557  0.666557  0.333228  1
  Si  Si54  1  0.666588  0.666588  0.666744  1
  Si  Si55  1  0.250160  0.081102  0.252231  1
  Si  Si56  1  0.250000  0.083400  0.583333  1
  Si  Si57  1  0.249840  0.081102  0.914436  1
  Si  Si58  1  0.249840  0.418898  0.252231  1
  Si  Si59  1  0.250000  0.416600  0.583333  1
  Si  Si60  1  0.250160  0.418898  0.914436  1
  Si  Si61  1  0.250000  0.750000  0.249934  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916733  1
  Si  Si64  1  0.583131  0.083464  0.249869  1
  Si  Si65  1  0.583246  0.083340  0.583237  1
  Si  Si66  1  0.583411  0.083428  0.916761  1
  Si  Si67  1  0.583411  0.416572  0.249906  1
  Si  Si68  1  0.583246  0.416660  0.583430  1
  Si  Si69  1  0.583131  0.416536  0.916797  1
  Si  Si70  1  0.583245  0.750098  0.249991  1
  Si  Si71  1  0.583172  0.750000  0.583333  1
  Si  Si72  1  0.583245  0.749902  0.916676  1
  Si  Si73  1  0.916589  0.083428  0.249906  1
  Si  Si74  1  0.916754  0.083340  0.583430  1
  Si  Si75  1  0.916869  0.083464  0.916797  1
  Si  Si76  1  0.916869  0.416536  0.249869  1
  Si  Si77  1  0.916754  0.416660  0.583237  1
  Si  Si78  1  0.916589  0.416572  0.916761  1
  Si  Si79  1  0.916755  0.749902  0.249991  1
  Si  Si80  1  0.916828  0.750000  0.583333  1
  Si  Si81  1  0.916755  0.750098  0.916676  1
  Si  Si82  1  -0.000084  0.166765  0.166568  1
  Si  Si83  1  -0.000061  0.166684  0.500163  1
  Si  Si84  1  -0.001777  0.167173  0.831556  1
  Si  Si85  1  -0.001777  0.501777  0.166160  1
  Si  Si86  1  0.000113  0.499887  0.499824  1
  Si  Si87  1  0.000143  0.499857  0.833478  1
  Si  Si88  1  -0.000060  0.833170  0.166650  1
  Si  Si89  1  0.000100  0.833449  0.499883  1
  Si  Si90  1  0.000113  0.833510  0.833446  1
  Si  Si91  1  0.342064  0.157936  0.175397  1
  Si  Si92  1  0.333334  0.166666  0.500043  1
  Si  Si93  1  0.333235  0.166765  0.833250  1
  Si  Si94  1  0.333235  0.500084  0.166568  1
  Si  Si95  1  0.333316  0.500061  0.500163  1
  Si  Si96  1  0.332827  0.501777  0.831556  1
  Si  Si97  1  0.333334  0.833290  0.166667  1
  Si  Si98  1  0.333464  0.832777  0.500557  1
  Si  Si99  1  0.333316  0.833170  0.833273  1
  Si  Si100  1  0.666710  0.166666  0.166667  1
  Si  Si101  1  0.667223  0.166536  0.500557  1
  Si  Si102  1  0.666830  0.166684  0.833273  1
  Si  Si103  1  0.666830  0.500060  0.166650  1
  Si  Si104  1  0.666551  0.499900  0.499883  1
  Si  Si105  1  0.666490  0.499887  0.833446  1
  Si  Si106  1  0.667223  0.832777  0.166796  1
  Si  Si107  1  0.666588  0.833412  0.499922  1
  Si  Si108  1  0.666557  0.833443  0.833438  1
  Si  Si109  1  0.081102  0.250160  0.252231  1
  Si  Si110  1  0.083400  0.250000  0.583333  1
  Si  Si111  1  0.081102  0.249840  0.914436  1
  Si  Si112  1  0.083464  0.583131  0.249869  1
  Si  Si113  1  0.083340  0.583246  0.583237  1
  Si  Si114  1  0.083428  0.583411  0.916761  1
  Si  Si115  1  0.083428  0.916589  0.249906  1
  Si  Si116  1  0.083340  0.916754  0.583430  1
  Si  Si117  1  0.083464  0.916869  0.916797  1
  Si  Si118  1  0.418897  0.249840  0.252231  1
  Si  Si119  1  0.416600  0.250000  0.583333  1
  Si  Si120  1  0.418898  0.250160  0.914436  1
  Si  Si121  1  0.416572  0.583411  0.249906  1
  Si  Si122  1  0.416660  0.583246  0.583430  1
  Si  Si123  1  0.416536  0.583131  0.916797  1
  Si  Si124  1  0.416536  0.916869  0.249869  1
  Si  Si125  1  0.416660  0.916754  0.583237  1
  Si  Si126  1  0.416572  0.916589  0.916761  1
  Si  Si127  1  0.750000  0.250000  0.249934  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916733  1
  Si  Si130  1  0.750098  0.583245  0.249991  1
  Si  Si131  1  0.750000  0.583172  0.583333  1
  Si  Si132  1  0.749902  0.583245  0.916676  1
  Si  Si133  1  0.749902  0.916755  0.249991  1
  Si  Si134  1  0.750000  0.916828  0.583333  1
  Si  Si135  1  0.750098  0.916755  0.916676  1
  Si  Si136  1  0.166765  -0.000084  0.166568  1
  Si  Si137  1  0.166684  -0.000061  0.500163  1
  Si  Si138  1  0.167173  -0.001777  0.831556  1
  Si  Si139  1  0.157935  0.342065  0.175398  1
  Si  Si140  1  0.166666  0.333334  0.500043  1
  Si  Si141  1  0.166765  0.333235  0.833250  1
  Si  Si142  1  0.166666  0.666710  0.166667  1
  Si  Si143  1  0.166536  0.667223  0.500557  1
  Si  Si144  1  0.166684  0.666830  0.833273  1
  Si  Si145  1  0.501777  -0.001777  0.166160  1
  Si  Si146  1  0.499887  0.000113  0.499824  1
  Si  Si147  1  0.499857  0.000143  0.833478  1
  Si  Si148  1  0.500084  0.333235  0.166568  1
  Si  Si149  1  0.500061  0.333316  0.500163  1
  Si  Si150  1  0.501777  0.332827  0.831556  1
  Si  Si151  1  0.500061  0.666830  0.166650  1
  Si  Si152  1  0.499900  0.666551  0.499883  1
  Si  Si153  1  0.499887  0.666490  0.833446  1
  Si  Si154  1  0.833170  -0.000061  0.166650  1
  Si  Si155  1  0.833449  0.000100  0.499883  1
  Si  Si156  1  0.833510  0.000113  0.833446  1
  Si  Si157  1  0.833290  0.333334  0.166667  1
  Si  Si158  1  0.832777  0.333464  0.500557  1
  Si  Si159  1  0.833170  0.333316  0.833273  1
  Si  Si160  1  0.832777  0.667223  0.166796  1
  Si  Si161  1  0.833412  0.666588  0.499922  1
  Si  Si162  1  0.833443  0.666557  0.833438  1
  Si  Si163  1  0.081103  0.081103  0.083173  1
  Si  Si164  1  0.083425  0.083425  0.416747  1
  Si  Si165  1  0.083464  0.083464  0.750202  1
  Si  Si166  1  0.081102  0.418897  0.083494  1
  Si  Si167  1  0.083464  0.416536  0.416465  1
  Si  Si168  1  0.083425  0.416575  0.749920  1
  Si  Si169  1  0.083400  0.750000  0.083333  1
  Si  Si170  1  0.083341  0.749903  0.416579  1
  Si  Si171  1  0.083341  0.750097  0.750087  1
  Si  Si172  1  0.418897  0.081103  0.083494  1
  Si  Si173  1  0.416536  0.083464  0.416465  1
  Si  Si174  1  0.416575  0.083425  0.749920  1
  Si  Si175  1  0.418898  0.418898  0.083173  1
  Si  Si176  1  0.416575  0.416575  0.416747  1
  Si  Si177  1  0.416536  0.416536  0.750202  1
  Si  Si178  1  0.416600  0.750000  0.083333  1
  Si  Si179  1  0.416659  0.750097  0.416579  1
  Si  Si180  1  0.416659  0.749903  0.750087  1
  Si  Si181  1  0.750000  0.083400  0.083333  1
  Si  Si182  1  0.749903  0.083341  0.416579  1
  Si  Si183  1  0.750097  0.083341  0.750087  1
  Si  Si184  1  0.750000  0.416600  0.083333  1
  Si  Si185  1  0.750097  0.416659  0.416579  1
  Si  Si186  1  0.749903  0.416659  0.750087  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416507  1
  Si  Si189  1  0.750000  0.750000  0.750160  1
  Si  Si190  1  0.157936  0.157936  -0.008730  1
  Si  Si191  1  0.166765  0.166765  0.333417  1
  Si  Si192  1  0.166666  0.166666  0.666623  1
  Si  Si193  1  0.166765  0.500084  0.000098  1
  Si  Si194  1  0.167173  0.501777  0.335110  1
  Si  Si195  1  0.166684  0.500061  0.666504  1
  Si  Si196  1  0.166666  0.833290  -0.000000  1
  Si  Si197  1  0.166684  0.833170  0.333394  1
  Si  Si198  1  0.166536  0.832777  0.666110  1
  Si  Si199  1  0.500084  0.166765  0.000098  1
  Si  Si200  1  0.501777  0.167173  0.335110  1
  Si  Si201  1  0.500061  0.166684  0.666504  1
  Si  Si202  1  0.501777  0.501777  0.000506  1
  Si  Si203  1  0.499857  0.499857  0.333189  1
  Si  Si204  1  0.499887  0.499887  0.666843  1
  Si  Si205  1  0.500061  0.833170  0.000017  1
  Si  Si206  1  0.499887  0.833510  0.333221  1
  Si  Si207  1  0.499900  0.833449  0.666783  1
  Si  Si208  1  0.833290  0.166666  -0.000000  1
  Si  Si209  1  0.833170  0.166684  0.333394  1
  Si  Si210  1  0.832777  0.166536  0.666110  1
  Si  Si211  1  0.833170  0.500060  0.000017  1
  Si  Si212  1  0.833510  0.499887  0.333221  1
  Si  Si213  1  0.833449  0.499900  0.666783  1
  Si  Si214  1  0.832777  0.832777  -0.000130  1
  Si  Si215  1  0.833443  0.833443  0.333228  1
  Si  Si216  1  0.833412  0.833412  0.666744  1