# generated using pymatgen
data_NbSi215
_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   NbSi215
_chemical_formula_sum   'Nb1 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
  Nb  Nb1  1  0.250000  0.250000  0.083334  1
  Si  Si2  1  0.250000  0.250000  0.416442  1
  Si  Si3  1  0.250000  0.250000  0.750225  1
  Si  Si4  1  0.250000  0.583109  0.083333  1
  Si  Si5  1  0.250011  0.584047  0.417381  1
  Si  Si6  1  0.249989  0.584047  0.749286  1
  Si  Si7  1  0.250000  0.916891  0.083333  1
  Si  Si8  1  0.249989  0.915953  0.417381  1
  Si  Si9  1  0.250011  0.915953  0.749286  1
  Si  Si10  1  0.583109  0.250000  0.083333  1
  Si  Si11  1  0.584047  0.250011  0.417381  1
  Si  Si12  1  0.584047  0.249989  0.749286  1
  Si  Si13  1  0.584047  0.584047  0.083345  1
  Si  Si14  1  0.583090  0.583090  0.416423  1
  Si  Si15  1  0.583127  0.583127  0.750206  1
  Si  Si16  1  0.584047  0.915953  0.083322  1
  Si  Si17  1  0.583127  0.916873  0.416461  1
  Si  Si18  1  0.583090  0.916910  0.750244  1
  Si  Si19  1  0.916891  0.250000  0.083333  1
  Si  Si20  1  0.915953  0.249989  0.417381  1
  Si  Si21  1  0.915953  0.250011  0.749286  1
  Si  Si22  1  0.915953  0.584047  0.083322  1
  Si  Si23  1  0.916873  0.583127  0.416461  1
  Si  Si24  1  0.916910  0.583090  0.750244  1
  Si  Si25  1  0.915953  0.915953  0.083345  1
  Si  Si26  1  0.916910  0.916910  0.416423  1
  Si  Si27  1  0.916873  0.916873  0.750206  1
  Si  Si28  1  -0.001117  -0.001117  0.000514  1
  Si  Si29  1  0.000180  0.000180  0.333153  1
  Si  Si30  1  0.000175  0.000175  0.666870  1
  Si  Si31  1  0.000071  0.333138  0.000195  1
  Si  Si32  1  -0.001117  0.332819  0.334451  1
  Si  Si33  1  0.000036  0.333306  0.666769  1
  Si  Si34  1  0.000037  0.666564  0.000027  1
  Si  Si35  1  0.000175  0.666463  0.333158  1
  Si  Si36  1  0.000194  0.666535  0.666799  1
  Si  Si37  1  0.333138  0.000071  0.000195  1
  Si  Si38  1  0.332819  -0.001117  0.334451  1
  Si  Si39  1  0.333306  0.000036  0.666769  1
  Si  Si40  1  0.337826  0.337826  -0.004493  1
  Si  Si41  1  0.333138  0.333138  0.333262  1
  Si  Si42  1  0.333261  0.333261  0.666884  1
  Si  Si43  1  0.333261  0.666449  0.000072  1
  Si  Si44  1  0.333306  0.666564  0.333297  1
  Si  Si45  1  0.333290  0.666987  0.666346  1
  Si  Si46  1  0.666564  0.000037  0.000027  1
  Si  Si47  1  0.666463  0.000175  0.333158  1
  Si  Si48  1  0.666535  0.000194  0.666799  1
  Si  Si49  1  0.666449  0.333261  0.000072  1
  Si  Si50  1  0.666564  0.333306  0.333297  1
  Si  Si51  1  0.666987  0.333290  0.666346  1
  Si  Si52  1  0.666987  0.666987  0.000043  1
  Si  Si53  1  0.666535  0.666535  0.333139  1
  Si  Si54  1  0.666579  0.666579  0.666754  1
  Si  Si55  1  0.249998  0.082050  0.251283  1
  Si  Si56  1  0.250000  0.083482  0.583333  1
  Si  Si57  1  0.250002  0.082050  0.915384  1
  Si  Si58  1  0.250002  0.417950  0.251283  1
  Si  Si59  1  0.250000  0.416518  0.583333  1
  Si  Si60  1  0.249998  0.417950  0.915384  1
  Si  Si61  1  0.250000  0.750000  0.249852  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916815  1
  Si  Si64  1  0.583023  0.083472  0.249861  1
  Si  Si65  1  0.583163  0.083531  0.583292  1
  Si  Si66  1  0.583101  0.083623  0.916956  1
  Si  Si67  1  0.583101  0.416377  0.249711  1
  Si  Si68  1  0.583163  0.416469  0.583375  1
  Si  Si69  1  0.583023  0.416528  0.916806  1
  Si  Si70  1  0.583163  0.750042  0.249802  1
  Si  Si71  1  0.583094  0.750000  0.583333  1
  Si  Si72  1  0.583163  0.749958  0.916864  1
  Si  Si73  1  0.916899  0.083623  0.249711  1
  Si  Si74  1  0.916837  0.083531  0.583375  1
  Si  Si75  1  0.916977  0.083472  0.916806  1
  Si  Si76  1  0.916977  0.416528  0.249861  1
  Si  Si77  1  0.916837  0.416469  0.583292  1
  Si  Si78  1  0.916899  0.416377  0.916956  1
  Si  Si79  1  0.916837  0.749958  0.249802  1
  Si  Si80  1  0.916906  0.750000  0.583333  1
  Si  Si81  1  0.916837  0.750042  0.916864  1
  Si  Si82  1  0.000071  0.166862  0.166472  1
  Si  Si83  1  0.000036  0.166694  0.499897  1
  Si  Si84  1  -0.001117  0.167181  0.832216  1
  Si  Si85  1  -0.001117  0.501117  0.166152  1
  Si  Si86  1  0.000175  0.499825  0.499797  1
  Si  Si87  1  0.000180  0.499820  0.833514  1
  Si  Si88  1  0.000037  0.833436  0.166639  1
  Si  Si89  1  0.000194  0.833465  0.499868  1
  Si  Si90  1  0.000175  0.833537  0.833508  1
  Si  Si91  1  0.337826  0.162174  0.171159  1
  Si  Si92  1  0.333261  0.166739  0.499783  1
  Si  Si93  1  0.333139  0.166862  0.833404  1
  Si  Si94  1  0.333138  0.499929  0.166472  1
  Si  Si95  1  0.333306  0.499964  0.499897  1
  Si  Si96  1  0.332819  0.501117  0.832216  1
  Si  Si97  1  0.333261  0.833551  0.166594  1
  Si  Si98  1  0.333290  0.833013  0.500320  1
  Si  Si99  1  0.333306  0.833436  0.833370  1
  Si  Si100  1  0.666449  0.166739  0.166594  1
  Si  Si101  1  0.666987  0.166710  0.500320  1
  Si  Si102  1  0.666564  0.166694  0.833370  1
  Si  Si103  1  0.666564  0.499963  0.166639  1
  Si  Si104  1  0.666535  0.499806  0.499868  1
  Si  Si105  1  0.666463  0.499825  0.833508  1
  Si  Si106  1  0.666987  0.833013  0.166624  1
  Si  Si107  1  0.666579  0.833421  0.499913  1
  Si  Si108  1  0.666535  0.833465  0.833527  1
  Si  Si109  1  0.082050  0.249998  0.251283  1
  Si  Si110  1  0.083482  0.250000  0.583333  1
  Si  Si111  1  0.082050  0.250002  0.915384  1
  Si  Si112  1  0.083472  0.583023  0.249861  1
  Si  Si113  1  0.083531  0.583163  0.583292  1
  Si  Si114  1  0.083623  0.583101  0.916956  1
  Si  Si115  1  0.083623  0.916899  0.249711  1
  Si  Si116  1  0.083531  0.916837  0.583375  1
  Si  Si117  1  0.083472  0.916977  0.916806  1
  Si  Si118  1  0.417950  0.250002  0.251283  1
  Si  Si119  1  0.416518  0.250000  0.583333  1
  Si  Si120  1  0.417950  0.249998  0.915384  1
  Si  Si121  1  0.416377  0.583101  0.249711  1
  Si  Si122  1  0.416469  0.583163  0.583375  1
  Si  Si123  1  0.416528  0.583023  0.916806  1
  Si  Si124  1  0.416528  0.916977  0.249861  1
  Si  Si125  1  0.416469  0.916837  0.583292  1
  Si  Si126  1  0.416377  0.916899  0.916956  1
  Si  Si127  1  0.750000  0.250000  0.249852  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916815  1
  Si  Si130  1  0.750042  0.583163  0.249802  1
  Si  Si131  1  0.750000  0.583094  0.583333  1
  Si  Si132  1  0.749958  0.583163  0.916864  1
  Si  Si133  1  0.749958  0.916837  0.249802  1
  Si  Si134  1  0.750000  0.916906  0.583333  1
  Si  Si135  1  0.750042  0.916837  0.916864  1
  Si  Si136  1  0.166862  0.000071  0.166472  1
  Si  Si137  1  0.166694  0.000036  0.499897  1
  Si  Si138  1  0.167181  -0.001117  0.832216  1
  Si  Si139  1  0.162174  0.337826  0.171159  1
  Si  Si140  1  0.166739  0.333261  0.499783  1
  Si  Si141  1  0.166862  0.333139  0.833404  1
  Si  Si142  1  0.166739  0.666449  0.166594  1
  Si  Si143  1  0.166710  0.666987  0.500320  1
  Si  Si144  1  0.166694  0.666564  0.833370  1
  Si  Si145  1  0.501117  -0.001117  0.166152  1
  Si  Si146  1  0.499825  0.000175  0.499797  1
  Si  Si147  1  0.499820  0.000180  0.833514  1
  Si  Si148  1  0.499929  0.333138  0.166472  1
  Si  Si149  1  0.499964  0.333306  0.499897  1
  Si  Si150  1  0.501117  0.332819  0.832216  1
  Si  Si151  1  0.499963  0.666564  0.166639  1
  Si  Si152  1  0.499806  0.666535  0.499868  1
  Si  Si153  1  0.499825  0.666463  0.833508  1
  Si  Si154  1  0.833436  0.000037  0.166639  1
  Si  Si155  1  0.833465  0.000194  0.499868  1
  Si  Si156  1  0.833537  0.000175  0.833508  1
  Si  Si157  1  0.833551  0.333261  0.166594  1
  Si  Si158  1  0.833013  0.333290  0.500320  1
  Si  Si159  1  0.833436  0.333306  0.833370  1
  Si  Si160  1  0.833013  0.666987  0.166624  1
  Si  Si161  1  0.833421  0.666579  0.499913  1
  Si  Si162  1  0.833465  0.666535  0.833527  1
  Si  Si163  1  0.082050  0.082050  0.083335  1
  Si  Si164  1  0.083623  0.083623  0.416434  1
  Si  Si165  1  0.083472  0.083472  0.750311  1
  Si  Si166  1  0.082050  0.417949  0.083332  1
  Si  Si167  1  0.083472  0.416528  0.416356  1
  Si  Si168  1  0.083623  0.416377  0.750232  1
  Si  Si169  1  0.083482  0.750000  0.083333  1
  Si  Si170  1  0.083531  0.749958  0.416496  1
  Si  Si171  1  0.083531  0.750042  0.750171  1
  Si  Si172  1  0.417950  0.082050  0.083332  1
  Si  Si173  1  0.416528  0.083472  0.416356  1
  Si  Si174  1  0.416377  0.083623  0.750232  1
  Si  Si175  1  0.417950  0.417950  0.083335  1
  Si  Si176  1  0.416377  0.416377  0.416434  1
  Si  Si177  1  0.416528  0.416528  0.750311  1
  Si  Si178  1  0.416518  0.750000  0.083333  1
  Si  Si179  1  0.416469  0.750042  0.416496  1
  Si  Si180  1  0.416469  0.749958  0.750171  1
  Si  Si181  1  0.750000  0.083482  0.083333  1
  Si  Si182  1  0.749958  0.083531  0.416496  1
  Si  Si183  1  0.750042  0.083531  0.750171  1
  Si  Si184  1  0.750000  0.416518  0.083333  1
  Si  Si185  1  0.750042  0.416469  0.416496  1
  Si  Si186  1  0.749958  0.416469  0.750171  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416427  1
  Si  Si189  1  0.750000  0.750000  0.750239  1
  Si  Si190  1  0.162174  0.162174  -0.004493  1
  Si  Si191  1  0.166862  0.166862  0.333262  1
  Si  Si192  1  0.166739  0.166739  0.666884  1
  Si  Si193  1  0.166862  0.499929  0.000195  1
  Si  Si194  1  0.167181  0.501117  0.334451  1
  Si  Si195  1  0.166694  0.499964  0.666769  1
  Si  Si196  1  0.166739  0.833551  0.000072  1
  Si  Si197  1  0.166694  0.833436  0.333297  1
  Si  Si198  1  0.166710  0.833013  0.666346  1
  Si  Si199  1  0.499929  0.166862  0.000195  1
  Si  Si200  1  0.501117  0.167181  0.334451  1
  Si  Si201  1  0.499964  0.166694  0.666769  1
  Si  Si202  1  0.501117  0.501117  0.000514  1
  Si  Si203  1  0.499820  0.499820  0.333153  1
  Si  Si204  1  0.499825  0.499825  0.666870  1
  Si  Si205  1  0.499963  0.833436  0.000027  1
  Si  Si206  1  0.499825  0.833537  0.333158  1
  Si  Si207  1  0.499806  0.833465  0.666799  1
  Si  Si208  1  0.833551  0.166739  0.000072  1
  Si  Si209  1  0.833436  0.166694  0.333297  1
  Si  Si210  1  0.833013  0.166710  0.666346  1
  Si  Si211  1  0.833436  0.499963  0.000027  1
  Si  Si212  1  0.833537  0.499825  0.333158  1
  Si  Si213  1  0.833465  0.499806  0.666799  1
  Si  Si214  1  0.833013  0.833013  0.000043  1
  Si  Si215  1  0.833465  0.833465  0.333139  1
  Si  Si216  1  0.833421  0.833421  0.666754  1
