# generated using pymatgen
data_ZrSi215
_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   ZrSi215
_chemical_formula_sum   'Zr1 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
  Zr  Zr1  1  0.250000  0.250000  0.083333  1
  Si  Si2  1  0.250000  0.250000  0.416602  1
  Si  Si3  1  0.250000  0.250000  0.750065  1
  Si  Si4  1  0.250000  0.583269  0.083333  1
  Si  Si5  1  0.250103  0.584450  0.417784  1
  Si  Si6  1  0.249897  0.584450  0.748883  1
  Si  Si7  1  0.250000  0.916731  0.083333  1
  Si  Si8  1  0.249897  0.915550  0.417784  1
  Si  Si9  1  0.250103  0.915550  0.748883  1
  Si  Si10  1  0.583269  0.250000  0.083333  1
  Si  Si11  1  0.584450  0.250103  0.417784  1
  Si  Si12  1  0.584450  0.249897  0.748883  1
  Si  Si13  1  0.584451  0.584451  0.083436  1
  Si  Si14  1  0.583099  0.583099  0.416432  1
  Si  Si15  1  0.583102  0.583102  0.750231  1
  Si  Si16  1  0.584451  0.915549  0.083231  1
  Si  Si17  1  0.583102  0.916898  0.416436  1
  Si  Si18  1  0.583099  0.916901  0.750235  1
  Si  Si19  1  0.916731  0.250000  0.083333  1
  Si  Si20  1  0.915550  0.249897  0.417784  1
  Si  Si21  1  0.915550  0.250103  0.748883  1
  Si  Si22  1  0.915549  0.584451  0.083231  1
  Si  Si23  1  0.916898  0.583102  0.416436  1
  Si  Si24  1  0.916901  0.583099  0.750235  1
  Si  Si25  1  0.915549  0.915549  0.083436  1
  Si  Si26  1  0.916901  0.916901  0.416432  1
  Si  Si27  1  0.916898  0.916898  0.750231  1
  Si  Si28  1  -0.001725  -0.001725  0.000585  1
  Si  Si29  1  0.000145  0.000145  0.333186  1
  Si  Si30  1  0.000166  0.000166  0.666932  1
  Si  Si31  1  -0.000095  0.333093  0.000241  1
  Si  Si32  1  -0.001725  0.332748  0.335058  1
  Si  Si33  1  0.000000  0.333282  0.666680  1
  Si  Si34  1  -0.000000  0.666654  0.000052  1
  Si  Si35  1  0.000166  0.666401  0.333167  1
  Si  Si36  1  0.000206  0.666481  0.666852  1
  Si  Si37  1  0.333093  -0.000095  0.000241  1
  Si  Si38  1  0.332748  -0.001725  0.335058  1
  Si  Si39  1  0.333282  0.000000  0.666680  1
  Si  Si40  1  0.341455  0.341455  -0.008122  1
  Si  Si41  1  0.333093  0.333093  0.333429  1
  Si  Si42  1  0.333272  0.333272  0.666824  1
  Si  Si43  1  0.333272  0.666509  0.000061  1
  Si  Si44  1  0.333282  0.666653  0.333333  1
  Si  Si45  1  0.333367  0.667123  0.666210  1
  Si  Si46  1  0.666654  -0.000000  0.000052  1
  Si  Si47  1  0.666401  0.000166  0.333167  1
  Si  Si48  1  0.666481  0.000206  0.666852  1
  Si  Si49  1  0.666509  0.333272  0.000061  1
  Si  Si50  1  0.666653  0.333282  0.333333  1
  Si  Si51  1  0.667123  0.333367  0.666210  1
  Si  Si52  1  0.667122  0.667122  -0.000036  1
  Si  Si53  1  0.666481  0.666481  0.333128  1
  Si  Si54  1  0.666540  0.666540  0.666793  1
  Si  Si55  1  0.249887  0.081182  0.252151  1
  Si  Si56  1  0.250000  0.083487  0.583333  1
  Si  Si57  1  0.250113  0.081182  0.914516  1
  Si  Si58  1  0.250113  0.418818  0.252151  1
  Si  Si59  1  0.250000  0.416513  0.583333  1
  Si  Si60  1  0.249887  0.418818  0.914516  1
  Si  Si61  1  0.250000  0.750000  0.249846  1
  Si  Si62  1  0.250000  0.750000  0.583333  1
  Si  Si63  1  0.250000  0.750000  0.916821  1
  Si  Si64  1  0.583067  0.083515  0.249818  1
  Si  Si65  1  0.583149  0.083474  0.583264  1
  Si  Si66  1  0.583192  0.083575  0.916908  1
  Si  Si67  1  0.583192  0.416425  0.249758  1
  Si  Si68  1  0.583149  0.416526  0.583402  1
  Si  Si69  1  0.583067  0.416485  0.916848  1
  Si  Si70  1  0.583149  0.750069  0.249859  1
  Si  Si71  1  0.583060  0.750000  0.583333  1
  Si  Si72  1  0.583149  0.749931  0.916808  1
  Si  Si73  1  0.916808  0.083575  0.249758  1
  Si  Si74  1  0.916851  0.083474  0.583402  1
  Si  Si75  1  0.916933  0.083515  0.916848  1
  Si  Si76  1  0.916933  0.416485  0.249818  1
  Si  Si77  1  0.916851  0.416526  0.583264  1
  Si  Si78  1  0.916808  0.416425  0.916908  1
  Si  Si79  1  0.916851  0.749931  0.249859  1
  Si  Si80  1  0.916940  0.750000  0.583333  1
  Si  Si81  1  0.916851  0.750069  0.916808  1
  Si  Si82  1  -0.000095  0.166907  0.166426  1
  Si  Si83  1  -0.000000  0.166717  0.499987  1
  Si  Si84  1  -0.001725  0.167252  0.831609  1
  Si  Si85  1  -0.001725  0.501725  0.166081  1
  Si  Si86  1  0.000166  0.499834  0.499735  1
  Si  Si87  1  0.000145  0.499855  0.833480  1
  Si  Si88  1  -0.000000  0.833346  0.166615  1
  Si  Si89  1  0.000206  0.833519  0.499814  1
  Si  Si90  1  0.000166  0.833598  0.833500  1
  Si  Si91  1  0.341455  0.158545  0.174788  1
  Si  Si92  1  0.333272  0.166728  0.499843  1
  Si  Si93  1  0.333093  0.166907  0.833238  1
  Si  Si94  1  0.333093  0.500095  0.166426  1
  Si  Si95  1  0.333283  0.500000  0.499987  1
  Si  Si96  1  0.332748  0.501725  0.831609  1
  Si  Si97  1  0.333272  0.833491  0.166606  1
  Si  Si98  1  0.333369  0.832878  0.500455  1
  Si  Si99  1  0.333282  0.833347  0.833333  1
  Si  Si100  1  0.666509  0.166728  0.166606  1
  Si  Si101  1  0.667122  0.166631  0.500455  1
  Si  Si102  1  0.666653  0.166718  0.833333  1
  Si  Si103  1  0.666654  0.500000  0.166615  1
  Si  Si104  1  0.666481  0.499794  0.499814  1
  Si  Si105  1  0.666402  0.499834  0.833500  1
  Si  Si106  1  0.667122  0.832878  0.166702  1
  Si  Si107  1  0.666540  0.833460  0.499873  1
  Si  Si108  1  0.666481  0.833519  0.833539  1
  Si  Si109  1  0.081182  0.249887  0.252151  1
  Si  Si110  1  0.083487  0.250000  0.583333  1
  Si  Si111  1  0.081182  0.250113  0.914516  1
  Si  Si112  1  0.083515  0.583067  0.249818  1
  Si  Si113  1  0.083474  0.583149  0.583264  1
  Si  Si114  1  0.083575  0.583192  0.916908  1
  Si  Si115  1  0.083575  0.916808  0.249758  1
  Si  Si116  1  0.083474  0.916851  0.583402  1
  Si  Si117  1  0.083515  0.916933  0.916848  1
  Si  Si118  1  0.418818  0.250113  0.252151  1
  Si  Si119  1  0.416513  0.250000  0.583333  1
  Si  Si120  1  0.418818  0.249887  0.914516  1
  Si  Si121  1  0.416425  0.583192  0.249758  1
  Si  Si122  1  0.416526  0.583149  0.583402  1
  Si  Si123  1  0.416485  0.583067  0.916848  1
  Si  Si124  1  0.416485  0.916933  0.249818  1
  Si  Si125  1  0.416526  0.916851  0.583264  1
  Si  Si126  1  0.416425  0.916808  0.916908  1
  Si  Si127  1  0.750000  0.250000  0.249846  1
  Si  Si128  1  0.750000  0.250000  0.583333  1
  Si  Si129  1  0.750000  0.250000  0.916821  1
  Si  Si130  1  0.750069  0.583149  0.249859  1
  Si  Si131  1  0.750000  0.583060  0.583333  1
  Si  Si132  1  0.749931  0.583149  0.916808  1
  Si  Si133  1  0.749931  0.916851  0.249859  1
  Si  Si134  1  0.750000  0.916940  0.583333  1
  Si  Si135  1  0.750069  0.916851  0.916808  1
  Si  Si136  1  0.166907  -0.000095  0.166426  1
  Si  Si137  1  0.166717  -0.000000  0.499987  1
  Si  Si138  1  0.167252  -0.001725  0.831609  1
  Si  Si139  1  0.158545  0.341455  0.174788  1
  Si  Si140  1  0.166728  0.333272  0.499843  1
  Si  Si141  1  0.166907  0.333093  0.833238  1
  Si  Si142  1  0.166728  0.666509  0.166606  1
  Si  Si143  1  0.166631  0.667122  0.500455  1
  Si  Si144  1  0.166718  0.666653  0.833333  1
  Si  Si145  1  0.501725  -0.001725  0.166081  1
  Si  Si146  1  0.499834  0.000166  0.499735  1
  Si  Si147  1  0.499855  0.000145  0.833480  1
  Si  Si148  1  0.500095  0.333093  0.166426  1
  Si  Si149  1  0.500000  0.333283  0.499987  1
  Si  Si150  1  0.501725  0.332748  0.831609  1
  Si  Si151  1  0.500000  0.666654  0.166615  1
  Si  Si152  1  0.499794  0.666481  0.499814  1
  Si  Si153  1  0.499834  0.666402  0.833500  1
  Si  Si154  1  0.833346  -0.000000  0.166615  1
  Si  Si155  1  0.833519  0.000206  0.499814  1
  Si  Si156  1  0.833598  0.000166  0.833500  1
  Si  Si157  1  0.833491  0.333272  0.166606  1
  Si  Si158  1  0.832878  0.333369  0.500455  1
  Si  Si159  1  0.833347  0.333282  0.833333  1
  Si  Si160  1  0.832878  0.667122  0.166702  1
  Si  Si161  1  0.833460  0.666540  0.499873  1
  Si  Si162  1  0.833519  0.666481  0.833539  1
  Si  Si163  1  0.081182  0.081182  0.083447  1
  Si  Si164  1  0.083574  0.083574  0.416524  1
  Si  Si165  1  0.083515  0.083515  0.750266  1
  Si  Si166  1  0.081182  0.418818  0.083220  1
  Si  Si167  1  0.083515  0.416485  0.416400  1
  Si  Si168  1  0.083574  0.416426  0.750143  1
  Si  Si169  1  0.083488  0.750000  0.083333  1
  Si  Si170  1  0.083474  0.749931  0.416482  1
  Si  Si171  1  0.083475  0.750069  0.750184  1
  Si  Si172  1  0.418818  0.081182  0.083220  1
  Si  Si173  1  0.416485  0.083515  0.416400  1
  Si  Si174  1  0.416426  0.083574  0.750143  1
  Si  Si175  1  0.418818  0.418818  0.083447  1
  Si  Si176  1  0.416426  0.416426  0.416524  1
  Si  Si177  1  0.416485  0.416485  0.750266  1
  Si  Si178  1  0.416512  0.750000  0.083333  1
  Si  Si179  1  0.416526  0.750069  0.416482  1
  Si  Si180  1  0.416525  0.749931  0.750184  1
  Si  Si181  1  0.750000  0.083488  0.083333  1
  Si  Si182  1  0.749931  0.083474  0.416482  1
  Si  Si183  1  0.750069  0.083475  0.750184  1
  Si  Si184  1  0.750000  0.416512  0.083333  1
  Si  Si185  1  0.750069  0.416526  0.416482  1
  Si  Si186  1  0.749931  0.416525  0.750184  1
  Si  Si187  1  0.750000  0.750000  0.083333  1
  Si  Si188  1  0.750000  0.750000  0.416394  1
  Si  Si189  1  0.750000  0.750000  0.750273  1
  Si  Si190  1  0.158545  0.158545  -0.008122  1
  Si  Si191  1  0.166907  0.166907  0.333429  1
  Si  Si192  1  0.166728  0.166728  0.666824  1
  Si  Si193  1  0.166907  0.500095  0.000241  1
  Si  Si194  1  0.167252  0.501725  0.335058  1
  Si  Si195  1  0.166718  0.500000  0.666680  1
  Si  Si196  1  0.166728  0.833491  0.000061  1
  Si  Si197  1  0.166718  0.833347  0.333333  1
  Si  Si198  1  0.166633  0.832877  0.666210  1
  Si  Si199  1  0.500095  0.166907  0.000241  1
  Si  Si200  1  0.501725  0.167252  0.335058  1
  Si  Si201  1  0.500000  0.166718  0.666680  1
  Si  Si202  1  0.501725  0.501725  0.000585  1
  Si  Si203  1  0.499855  0.499855  0.333186  1
  Si  Si204  1  0.499834  0.499834  0.666932  1
  Si  Si205  1  0.500000  0.833346  0.000052  1
  Si  Si206  1  0.499834  0.833599  0.333167  1
  Si  Si207  1  0.499794  0.833519  0.666852  1
  Si  Si208  1  0.833491  0.166728  0.000061  1
  Si  Si209  1  0.833347  0.166718  0.333333  1
  Si  Si210  1  0.832877  0.166633  0.666210  1
  Si  Si211  1  0.833346  0.500000  0.000052  1
  Si  Si212  1  0.833599  0.499834  0.333167  1
  Si  Si213  1  0.833519  0.499794  0.666852  1
  Si  Si214  1  0.832878  0.832878  -0.000036  1
  Si  Si215  1  0.833519  0.833519  0.333128  1
  Si  Si216  1  0.833460  0.833460  0.666793  1