# generated using pymatgen
data_TiSi215
_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   TiSi215
_chemical_formula_sum   'Ti1 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
  Ti  Ti1  1  0.250000  0.250000  0.083333  1
  Si  Si2  1  0.250000  0.250000  0.416409  1
  Si  Si3  1  0.250000  0.250000  0.750257  1
  Si  Si4  1  0.250000  0.583076  0.083333  1
  Si  Si5  1  0.250025  0.584071  0.417405  1
  Si  Si6  1  0.249975  0.584071  0.749262  1
  Si  Si7  1  0.250000  0.916924  0.083333  1
  Si  Si8  1  0.249975  0.915929  0.417405  1
  Si  Si9  1  0.250025  0.915929  0.749262  1
  Si  Si10  1  0.583076  0.250000  0.083333  1
  Si  Si11  1  0.584071  0.250025  0.417405  1
  Si  Si12  1  0.584071  0.249975  0.749262  1
  Si  Si13  1  0.584071  0.584071  0.083359  1
  Si  Si14  1  0.583098  0.583098  0.416432  1
  Si  Si15  1  0.583128  0.583128  0.750206  1
  Si  Si16  1  0.584071  0.915929  0.083308  1
  Si  Si17  1  0.583128  0.916872  0.416461  1
  Si  Si18  1  0.583098  0.916902  0.750235  1
  Si  Si19  1  0.916924  0.250000  0.083333  1
  Si  Si20  1  0.915929  0.249975  0.417405  1
  Si  Si21  1  0.915929  0.250025  0.749262  1
  Si  Si22  1  0.915929  0.584071  0.083308  1
  Si  Si23  1  0.916872  0.583128  0.416461  1
  Si  Si24  1  0.916902  0.583098  0.750235  1
  Si  Si25  1  0.915929  0.915929  0.083359  1
  Si  Si26  1  0.916902  0.916902  0.416432  1
  Si  Si27  1  0.916872  0.916872  0.750206  1
  Si  Si28  1  -0.001097  -0.001097  0.000597  1
  Si  Si29  1  0.000173  0.000173  0.333161  1
  Si  Si30  1  0.000185  0.000185  0.666901  1
  Si  Si31  1  0.000188  0.333128  0.000205  1
  Si  Si32  1  -0.001097  0.332736  0.334431  1
  Si  Si33  1  0.000040  0.333298  0.666762  1
  Si  Si34  1  0.000040  0.666571  0.000035  1
  Si  Si35  1  0.000185  0.666432  0.333149  1
  Si  Si36  1  0.000185  0.666536  0.666797  1
  Si  Si37  1  0.333128  0.000188  0.000205  1
  Si  Si38  1  0.332736  -0.001097  0.334431  1
  Si  Si39  1  0.333298  0.000040  0.666762  1
  Si  Si40  1  0.337694  0.337694  -0.004361  1
  Si  Si41  1  0.333128  0.333128  0.333145  1
  Si  Si42  1  0.333256  0.333256  0.666891  1
  Si  Si43  1  0.333256  0.666442  0.000077  1
  Si  Si44  1  0.333298  0.666571  0.333293  1
  Si  Si45  1  0.333301  0.666992  0.666342  1
  Si  Si46  1  0.666571  0.000040  0.000035  1
  Si  Si47  1  0.666432  0.000185  0.333149  1
  Si  Si48  1  0.666536  0.000185  0.666797  1
  Si  Si49  1  0.666442  0.333256  0.000077  1
  Si  Si50  1  0.666571  0.333298  0.333293  1
  Si  Si51  1  0.666992  0.333301  0.666342  1
  Si  Si52  1  0.666992  0.666992  0.000032  1
  Si  Si53  1  0.666536  0.666536  0.333148  1
  Si  Si54  1  0.666579  0.666579  0.666755  1
  Si  Si55  1  0.250278  0.082137  0.251196  1
  Si  Si56  1  0.250000  0.083500  0.583333  1
  Si  Si57  1  0.249722  0.082137  0.915470  1
  Si  Si58  1  0.249722  0.417863  0.251196  1
  Si  Si59  1  0.250000  0.416500  0.583333  1
  Si  Si60  1  0.250278  0.417863  0.915470  1
  Si  Si61  1  0.250000  0.750000  0.249833  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916834  1
  Si  Si64  1  0.582987  0.083496  0.249838  1
  Si  Si65  1  0.583146  0.083515  0.583284  1
  Si  Si66  1  0.583092  0.083622  0.916955  1
  Si  Si67  1  0.583092  0.416378  0.249711  1
  Si  Si68  1  0.583146  0.416485  0.583383  1
  Si  Si69  1  0.582987  0.416504  0.916829  1
  Si  Si70  1  0.583146  0.750049  0.249819  1
  Si  Si71  1  0.583096  0.750000  0.583333  1
  Si  Si72  1  0.583146  0.749951  0.916848  1
  Si  Si73  1  0.916908  0.083622  0.249711  1
  Si  Si74  1  0.916854  0.083515  0.583383  1
  Si  Si75  1  0.917013  0.083496  0.916829  1
  Si  Si76  1  0.917013  0.416504  0.249838  1
  Si  Si77  1  0.916854  0.416485  0.583284  1
  Si  Si78  1  0.916908  0.416378  0.916955  1
  Si  Si79  1  0.916854  0.749951  0.249819  1
  Si  Si80  1  0.916904  0.750000  0.583333  1
  Si  Si81  1  0.916854  0.750049  0.916848  1
  Si  Si82  1  0.000188  0.166872  0.166462  1
  Si  Si83  1  0.000040  0.166702  0.499904  1
  Si  Si84  1  -0.001097  0.167264  0.832236  1
  Si  Si85  1  -0.001097  0.501097  0.166069  1
  Si  Si86  1  0.000185  0.499815  0.499766  1
  Si  Si87  1  0.000173  0.499827  0.833506  1
  Si  Si88  1  0.000040  0.833429  0.166632  1
  Si  Si89  1  0.000185  0.833464  0.499870  1
  Si  Si90  1  0.000185  0.833568  0.833518  1
  Si  Si91  1  0.337694  0.162306  0.171028  1
  Si  Si92  1  0.333256  0.166744  0.499776  1
  Si  Si93  1  0.333128  0.166872  0.833521  1
  Si  Si94  1  0.333128  0.499812  0.166462  1
  Si  Si95  1  0.333298  0.499960  0.499904  1
  Si  Si96  1  0.332736  0.501097  0.832236  1
  Si  Si97  1  0.333256  0.833558  0.166589  1
  Si  Si98  1  0.333301  0.833008  0.500325  1
  Si  Si99  1  0.333298  0.833429  0.833373  1
  Si  Si100  1  0.666442  0.166744  0.166589  1
  Si  Si101  1  0.666992  0.166699  0.500325  1
  Si  Si102  1  0.666571  0.166702  0.833373  1
  Si  Si103  1  0.666571  0.499960  0.166632  1
  Si  Si104  1  0.666536  0.499815  0.499870  1
  Si  Si105  1  0.666432  0.499815  0.833518  1
  Si  Si106  1  0.666992  0.833008  0.166635  1
  Si  Si107  1  0.666579  0.833421  0.499912  1
  Si  Si108  1  0.666536  0.833464  0.833518  1
  Si  Si109  1  0.082137  0.250278  0.251196  1
  Si  Si110  1  0.083500  0.250000  0.583333  1
  Si  Si111  1  0.082137  0.249722  0.915470  1
  Si  Si112  1  0.083496  0.582987  0.249838  1
  Si  Si113  1  0.083515  0.583146  0.583284  1
  Si  Si114  1  0.083622  0.583092  0.916955  1
  Si  Si115  1  0.083622  0.916908  0.249711  1
  Si  Si116  1  0.083515  0.916854  0.583383  1
  Si  Si117  1  0.083496  0.917013  0.916829  1
  Si  Si118  1  0.417863  0.249722  0.251196  1
  Si  Si119  1  0.416500  0.250000  0.583333  1
  Si  Si120  1  0.417863  0.250278  0.915470  1
  Si  Si121  1  0.416378  0.583092  0.249711  1
  Si  Si122  1  0.416485  0.583146  0.583383  1
  Si  Si123  1  0.416504  0.582987  0.916829  1
  Si  Si124  1  0.416504  0.917013  0.249838  1
  Si  Si125  1  0.416485  0.916854  0.583284  1
  Si  Si126  1  0.416378  0.916908  0.916955  1
  Si  Si127  1  0.750000  0.250000  0.249833  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916834  1
  Si  Si130  1  0.750049  0.583146  0.249819  1
  Si  Si131  1  0.750000  0.583096  0.583333  1
  Si  Si132  1  0.749951  0.583146  0.916848  1
  Si  Si133  1  0.749951  0.916854  0.249819  1
  Si  Si134  1  0.750000  0.916904  0.583333  1
  Si  Si135  1  0.750049  0.916854  0.916848  1
  Si  Si136  1  0.166872  0.000188  0.166462  1
  Si  Si137  1  0.166702  0.000040  0.499904  1
  Si  Si138  1  0.167264  -0.001097  0.832236  1
  Si  Si139  1  0.162306  0.337694  0.171028  1
  Si  Si140  1  0.166744  0.333256  0.499776  1
  Si  Si141  1  0.166872  0.333128  0.833521  1
  Si  Si142  1  0.166744  0.666442  0.166589  1
  Si  Si143  1  0.166699  0.666992  0.500325  1
  Si  Si144  1  0.166702  0.666571  0.833373  1
  Si  Si145  1  0.501097  -0.001097  0.166069  1
  Si  Si146  1  0.499815  0.000185  0.499766  1
  Si  Si147  1  0.499827  0.000173  0.833506  1
  Si  Si148  1  0.499812  0.333128  0.166462  1
  Si  Si149  1  0.499960  0.333298  0.499904  1
  Si  Si150  1  0.501097  0.332736  0.832236  1
  Si  Si151  1  0.499960  0.666571  0.166632  1
  Si  Si152  1  0.499815  0.666536  0.499870  1
  Si  Si153  1  0.499815  0.666432  0.833518  1
  Si  Si154  1  0.833429  0.000040  0.166632  1
  Si  Si155  1  0.833464  0.000185  0.499870  1
  Si  Si156  1  0.833568  0.000185  0.833518  1
  Si  Si157  1  0.833558  0.333256  0.166589  1
  Si  Si158  1  0.833008  0.333301  0.500325  1
  Si  Si159  1  0.833429  0.333298  0.833373  1
  Si  Si160  1  0.833008  0.666992  0.166635  1
  Si  Si161  1  0.833421  0.666579  0.499912  1
  Si  Si162  1  0.833464  0.666536  0.833518  1
  Si  Si163  1  0.082137  0.082137  0.083056  1
  Si  Si164  1  0.083622  0.083622  0.416425  1
  Si  Si165  1  0.083496  0.083496  0.750346  1
  Si  Si166  1  0.082137  0.417863  0.083611  1
  Si  Si167  1  0.083496  0.416504  0.416321  1
  Si  Si168  1  0.083622  0.416378  0.750242  1
  Si  Si169  1  0.083500  0.750000  0.083333  1
  Si  Si170  1  0.083515  0.749951  0.416479  1
  Si  Si171  1  0.083515  0.750049  0.750187  1
  Si  Si172  1  0.417863  0.082137  0.083611  1
  Si  Si173  1  0.416504  0.083496  0.416321  1
  Si  Si174  1  0.416378  0.083622  0.750242  1
  Si  Si175  1  0.417863  0.417863  0.083056  1
  Si  Si176  1  0.416378  0.416378  0.416425  1
  Si  Si177  1  0.416504  0.416504  0.750346  1
  Si  Si178  1  0.416500  0.750000  0.083333  1
  Si  Si179  1  0.416485  0.750049  0.416479  1
  Si  Si180  1  0.416485  0.749951  0.750187  1
  Si  Si181  1  0.750000  0.083500  0.083333  1
  Si  Si182  1  0.749951  0.083515  0.416479  1
  Si  Si183  1  0.750049  0.083515  0.750187  1
  Si  Si184  1  0.750000  0.416500  0.083333  1
  Si  Si185  1  0.750049  0.416485  0.416479  1
  Si  Si186  1  0.749951  0.416485  0.750187  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416429  1
  Si  Si189  1  0.750000  0.750000  0.750237  1
  Si  Si190  1  0.162306  0.162306  -0.004361  1
  Si  Si191  1  0.166872  0.166872  0.333145  1
  Si  Si192  1  0.166744  0.166744  0.666891  1
  Si  Si193  1  0.166872  0.499812  0.000205  1
  Si  Si194  1  0.167264  0.501097  0.334431  1
  Si  Si195  1  0.166702  0.499960  0.666762  1
  Si  Si196  1  0.166744  0.833558  0.000077  1
  Si  Si197  1  0.166702  0.833429  0.333293  1
  Si  Si198  1  0.166699  0.833008  0.666342  1
  Si  Si199  1  0.499812  0.166872  0.000205  1
  Si  Si200  1  0.501097  0.167264  0.334431  1
  Si  Si201  1  0.499960  0.166702  0.666762  1
  Si  Si202  1  0.501097  0.501097  0.000597  1
  Si  Si203  1  0.499827  0.499827  0.333161  1
  Si  Si204  1  0.499815  0.499815  0.666901  1
  Si  Si205  1  0.499960  0.833429  0.000035  1
  Si  Si206  1  0.499815  0.833568  0.333149  1
  Si  Si207  1  0.499815  0.833464  0.666797  1
  Si  Si208  1  0.833558  0.166744  0.000077  1
  Si  Si209  1  0.833429  0.166702  0.333293  1
  Si  Si210  1  0.833008  0.166699  0.666342  1
  Si  Si211  1  0.833429  0.499960  0.000035  1
  Si  Si212  1  0.833568  0.499815  0.333149  1
  Si  Si213  1  0.833464  0.499815  0.666797  1
  Si  Si214  1  0.833008  0.833008  0.000032  1
  Si  Si215  1  0.833464  0.833464  0.333148  1
  Si  Si216  1  0.833421  0.833421  0.666755  1
