# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94816764
_cell_length_b   14.15930970
_cell_length_c   46.41170789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.56549350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr48 Ni144'
_cell_volume   5578.61147038
_cell_formula_units_Z   48
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  0.881904  0.908367  0.278376  1
  Zr  Zr2  1  0.732194  0.222523  0.293839  1
  Zr  Zr3  1  0.565292  0.545303  0.313005  1
  Zr  Zr4  1  0.113574  0.066813  0.284372  1
  Zr  Zr5  1  0.963100  0.377810  0.301552  1
  Zr  Zr6  1  0.805781  0.705680  0.319448  1
  Zr  Zr7  1  0.402200  0.862709  0.333796  1
  Zr  Zr8  1  0.245877  0.181201  0.351687  1
  Zr  Zr9  1  0.085785  0.500634  0.370714  1
  Zr  Zr10  1  0.652776  0.021000  0.342086  1
  Zr  Zr11  1  0.492848  0.340834  0.360914  1
  Zr  Zr12  1  0.333031  0.661186  0.379607  1
  Zr  Zr13  1  0.925111  0.820870  0.389580  1
  Zr  Zr14  1  0.765901  0.143275  0.407440  1
  Zr  Zr15  1  0.605632  0.465022  0.425134  1
  Zr  Zr16  1  0.174373  0.982392  0.398156  1
  Zr  Zr17  1  0.012704  0.304897  0.415644  1
  Zr  Zr18  1  0.853016  0.625944  0.433776  1
  Zr  Zr19  1  0.444950  0.785704  0.444347  1
  Zr  Zr20  1  0.284495  0.107033  0.462944  1
  Zr  Zr21  1  0.124148  0.428578  0.481348  1
  Zr  Zr22  1  0.693782  0.946545  0.453254  1
  Zr  Zr23  1  0.533903  0.267996  0.471751  1
  Zr  Zr24  1  0.373631  0.589694  0.489978  1
  Zr  Zr25  1  0.963585  0.749958  0.500038  1
  Zr  Zr26  1  0.803313  0.071656  0.518265  1
  Zr  Zr27  1  0.643434  0.393107  0.536762  1
  Zr  Zr28  1  0.213068  0.911074  0.508668  1
  Zr  Zr29  1  0.052721  0.232619  0.527073  1
  Zr  Zr30  1  0.892266  0.553948  0.545670  1
  Zr  Zr31  1  0.484200  0.713708  0.556240  1
  Zr  Zr32  1  0.324512  0.034755  0.574372  1
  Zr  Zr33  1  0.162843  0.357260  0.591860  1
  Zr  Zr34  1  0.731584  0.874630  0.564883  1
  Zr  Zr35  1  0.571315  0.196377  0.582576  1
  Zr  Zr36  1  0.412105  0.518782  0.600436  1
  Zr  Zr37  1  0.004185  0.678466  0.610409  1
  Zr  Zr38  1  0.844368  0.998818  0.629102  1
  Zr  Zr39  1  0.684440  0.318651  0.647930  1
  Zr  Zr40  1  0.251431  0.839018  0.619302  1
  Zr  Zr41  1  0.091339  0.158451  0.638329  1
  Zr  Zr42  1  0.935016  0.476943  0.656220  1
  Zr  Zr43  1  0.531435  0.633972  0.670568  1
  Zr  Zr44  1  0.374116  0.961842  0.688464  1
  Zr  Zr45  1  0.223642  0.272839  0.705644  1
  Zr  Zr46  1  0.771924  0.794349  0.677011  1
  Zr  Zr47  1  0.605022  0.117129  0.696178  1
  Zr  Zr48  1  0.455312  0.431285  0.711640  1
  Ni  Ni49  1  0.635742  0.885362  0.304833  1
  Ni  Ni50  1  0.486212  0.203827  0.322789  1
  Ni  Ni51  1  0.815402  0.557542  0.284956  1
  Ni  Ni52  1  0.384295  0.044593  0.313030  1
  Ni  Ni53  1  0.685320  0.410395  0.276435  1
  Ni  Ni54  1  0.530298  0.727157  0.294298  1
  Ni  Ni55  1  0.892560  0.042636  0.315929  1
  Ni  Ni56  1  0.211104  0.409936  0.279320  1
  Ni  Ni57  1  0.062896  0.723084  0.296250  1
  Ni  Ni58  1  0.140337  0.882120  0.306577  1
  Ni  Ni59  1  0.985036  0.201197  0.324503  1
  Ni  Ni60  1  0.296380  0.562820  0.288096  1
  Ni  Ni61  1  0.369015  0.904958  0.279511  1
  Ni  Ni62  1  0.228727  0.225346  0.295966  1
  Ni  Ni63  1  0.065405  0.542475  0.314020  1
  Ni  Ni64  1  0.629973  0.063288  0.287768  1
  Ni  Ni65  1  0.464815  0.382894  0.304962  1
  Ni  Ni66  1  0.306796  0.703017  0.323267  1
  Ni  Ni67  1  0.161506  0.840908  0.360491  1
  Ni  Ni68  1  0.003933  0.162043  0.378770  1
  Ni  Ni69  1  0.323211  0.521792  0.341034  1
  Ni  Ni70  1  0.915441  1.001497  0.369458  1
  Ni  Ni71  1  0.226467  0.364031  0.331651  1
  Ni  Ni72  1  0.070617  0.681536  0.349681  1
  Ni  Ni73  1  0.413976  1.001304  0.370529  1
  Ni  Ni74  1  0.729812  0.362137  0.332025  1
  Ni  Ni75  1  0.573902  0.681506  0.350826  1
  Ni  Ni76  1  0.666332  0.839144  0.361150  1
  Ni  Ni77  1  0.506351  0.161275  0.380300  1
  Ni  Ni78  1  0.826388  0.520244  0.341116  1
  Ni  Ni79  1  0.906352  0.860638  0.332857  1
  Ni  Ni80  1  0.747236  0.182612  0.350517  1
  Ni  Ni81  1  0.587711  0.502221  0.368876  1
  Ni  Ni82  1  0.149631  0.022282  0.341022  1
  Ni  Ni83  1  0.988209  0.342763  0.358950  1
  Ni  Ni84  1  0.830990  0.661995  0.377088  1
  Ni  Ni85  1  0.683289  0.804046  0.415932  1
  Ni  Ni86  1  0.523689  0.125442  0.434783  1
  Ni  Ni87  1  0.843399  0.483633  0.396784  1
  Ni  Ni88  1  0.435066  0.964919  0.425208  1
  Ni  Ni89  1  0.754482  0.323023  0.387374  1
  Ni  Ni90  1  0.595208  0.644050  0.406005  1
  Ni  Ni91  1  0.934940  0.964313  0.425920  1
  Ni  Ni92  1  0.253410  0.321961  0.389138  1
  Ni  Ni93  1  0.093888  0.643020  0.407300  1
  Ni  Ni94  1  0.184083  0.803522  0.417435  1
  Ni  Ni95  1  0.024156  0.125286  0.435402  1
  Ni  Ni96  1  0.345988  0.481715  0.398882  1
  Ni  Ni97  1  0.427253  0.821523  0.388669  1
  Ni  Ni98  1  0.267556  0.143195  0.407425  1
  Ni  Ni99  1  0.107262  0.464438  0.426133  1
  Ni  Ni100  1  0.671986  0.982473  0.397625  1
  Ni  Ni101  1  0.511963  0.303909  0.416419  1
  Ni  Ni102  1  0.351633  0.625586  0.434781  1
  Ni  Ni103  1  0.202934  0.768577  0.471919  1
  Ni  Ni104  1  0.042590  0.090230  0.490188  1
  Ni  Ni105  1  0.363841  0.447051  0.453213  1
  Ni  Ni106  1  0.953704  0.929549  0.480705  1
  Ni  Ni107  1  0.274246  0.286435  0.443671  1
  Ni  Ni108  1  0.113725  0.608187  0.462003  1
  Ni  Ni109  1  0.455072  0.928023  0.481514  1
  Ni  Ni110  1  0.774949  0.286180  0.444144  1
  Ni  Ni111  1  0.615311  0.607128  0.462610  1
  Ni  Ni112  1  0.703341  0.767252  0.472523  1
  Ni  Ni113  1  0.543449  0.088526  0.490997  1
  Ni  Ni114  1  0.863525  0.446640  0.453642  1
  Ni  Ni115  1  0.946574  0.785810  0.444807  1
  Ni  Ni116  1  0.786869  0.107466  0.462793  1
  Ni  Ni117  1  0.626564  0.428980  0.481021  1
  Ni  Ni118  1  0.191162  0.947063  0.453380  1
  Ni  Ni119  1  0.030767  0.268722  0.471433  1
  Ni  Ni120  1  0.870846  0.589868  0.489847  1
  Ni  Ni121  1  0.721905  0.732524  0.527407  1
  Ni  Ni122  1  0.562267  0.053472  0.545872  1
  Ni  Ni123  1  0.882144  0.411629  0.508502  1
  Ni  Ni124  1  0.473691  0.893012  0.536375  1
  Ni  Ni125  1  0.793767  0.251125  0.499019  1
  Ni  Ni126  1  0.633875  0.572400  0.517493  1
  Ni  Ni127  1  0.973375  0.892601  0.536803  1
  Ni  Ni128  1  0.294626  0.249422  0.499828  1
  Ni  Ni129  1  0.134282  0.571075  0.518097  1
  Ni  Ni130  1  0.223491  0.731465  0.528013  1
  Ni  Ni131  1  0.062970  0.053217  0.546345  1
  Ni  Ni132  1  0.383512  0.410102  0.509311  1
  Ni  Ni133  1  0.466370  0.749784  0.500169  1
  Ni  Ni134  1  0.306449  0.070930  0.518583  1
  Ni  Ni135  1  0.146054  0.392589  0.536636  1
  Ni  Ni136  1  0.710652  0.910672  0.508995  1
  Ni  Ni137  1  0.550347  0.232186  0.527223  1
  Ni  Ni138  1  0.390642  0.553842  0.545209  1
  Ni  Ni139  1  0.243328  0.696632  0.582716  1
  Ni  Ni140  1  0.083806  0.017691  0.600878  1
  Ni  Ni141  1  0.402276  0.375339  0.564096  1
  Ni  Ni142  1  0.991228  0.857937  0.591135  1
  Ni  Ni143  1  0.313060  0.214366  0.554614  1
  Ni  Ni144  1  0.153134  0.536129  0.572581  1
  Ni  Ni145  1  0.493817  0.856019  0.593232  1
  Ni  Ni146  1  0.813527  0.214209  0.555233  1
  Ni  Ni147  1  0.653927  0.535606  0.574084  1
  Ni  Ni148  1  0.742008  0.695602  0.584012  1
  Ni  Ni149  1  0.582734  0.016629  0.602642  1
  Ni  Ni150  1  0.902150  0.374733  0.564808  1
  Ni  Ni151  1  0.985583  0.714066  0.555235  1
  Ni  Ni152  1  0.825253  0.035743  0.573597  1
  Ni  Ni153  1  0.665230  0.357179  0.592391  1
  Ni  Ni154  1  0.229954  0.875214  0.563883  1
  Ni  Ni155  1  0.069660  0.196457  0.582591  1
  Ni  Ni156  1  0.909963  0.518129  0.601347  1
  Ni  Ni157  1  0.763314  0.658145  0.639190  1
  Ni  Ni158  1  0.607404  0.977515  0.657992  1
  Ni  Ni159  1  0.923240  0.338348  0.619487  1
  Ni  Ni160  1  0.510828  0.819408  0.648900  1
  Ni  Ni161  1  0.830865  0.178377  0.609716  1
  Ni  Ni162  1  0.670884  0.500508  0.628866  1
  Ni  Ni163  1  0.014005  0.817860  0.648982  1
  Ni  Ni164  1  0.333283  0.177609  0.611246  1
  Ni  Ni165  1  0.175710  0.498744  0.629525  1
  Ni  Ni166  1  0.266599  0.658116  0.640336  1
  Ni  Ni167  1  0.110749  0.975621  0.658365  1
  Ni  Ni168  1  0.421775  0.338155  0.620558  1
  Ni  Ni169  1  0.506226  0.677657  0.612928  1
  Ni  Ni170  1  0.349007  0.996889  0.631067  1
  Ni  Ni171  1  0.187585  0.317370  0.648994  1
  Ni  Ni172  1  0.749505  0.837431  0.621140  1
  Ni  Ni173  1  0.589980  0.157039  0.639499  1
  Ni  Ni174  1  0.430864  0.479014  0.657159  1
  Ni  Ni175  1  0.274320  0.616568  0.693767  1
  Ni  Ni176  1  0.126112  0.929716  0.710696  1
  Ni  Ni177  1  0.444656  0.297016  0.674087  1
  Ni  Ni178  1  0.040836  0.776832  0.701920  1
  Ni  Ni179  1  0.352180  0.138455  0.665514  1
  Ni  Ni180  1  0.196879  0.457532  0.683440  1
  Ni  Ni181  1  0.521814  0.782110  0.705060  1
  Ni  Ni182  1  0.851004  0.135825  0.667227  1
  Ni  Ni183  1  0.701474  0.454290  0.685183  1
  Ni  Ni184  1  0.806918  0.612495  0.695719  1
  Ni  Ni185  1  0.651896  0.929257  0.713581  1
  Ni  Ni186  1  0.952921  0.295059  0.676986  1
  Ni  Ni187  1  0.030420  0.636635  0.666749  1
  Ni  Ni188  1  0.872401  0.956758  0.685055  1
  Ni  Ni189  1  0.707243  0.276364  0.702248  1
  Ni  Ni190  1  0.271811  0.797177  0.675997  1
  Ni  Ni191  1  0.108489  0.114306  0.694050  1
  Ni  Ni192  1  0.968201  0.434694  0.710505  1
