# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57129207
_cell_length_b   29.67518092
_cell_length_c   50.31001491
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5331.79190653
_cell_formula_units_Z   72
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  0.502895  0.273940  0.273078  1
  Zr  Zr2  1  0.502895  0.618529  0.320759  1
  Zr  Zr3  1  0.502895  0.945766  0.297139  1
  Zr  Zr4  1  1.002895  0.356798  0.302831  1
  Zr  Zr5  1  1.002895  0.684927  0.279101  1
  Zr  Zr6  1  1.002895  0.028130  0.327605  1
  Zr  Zr7  1  1.002895  0.109910  0.284471  1
  Zr  Zr8  1  1.002895  0.454314  0.333076  1
  Zr  Zr9  1  1.002895  0.782506  0.308497  1
  Zr  Zr10  1  0.502895  0.191756  0.315067  1
  Zr  Zr11  1  0.502895  0.521078  0.291339  1
  Zr  Zr12  1  0.502895  0.864435  0.340388  1
  Zr  Zr13  1  0.502895  0.290783  0.345820  1
  Zr  Zr14  1  0.502895  0.635717  0.397617  1
  Zr  Zr15  1  0.502895  0.962898  0.371764  1
  Zr  Zr16  1  1.002895  0.372925  0.378425  1
  Zr  Zr17  1  1.002895  0.700792  0.353327  1
  Zr  Zr18  1  1.002895  0.045058  0.404764  1
  Zr  Zr19  1  1.002895  0.126535  0.359002  1
  Zr  Zr20  1  1.002895  0.471797  0.410153  1
  Zr  Zr21  1  1.002895  0.799507  0.384975  1
  Zr  Zr22  1  0.502895  0.208973  0.391841  1
  Zr  Zr23  1  0.502895  0.536764  0.365799  1
  Zr  Zr24  1  0.502895  0.881565  0.417681  1
  Zr  Zr25  1  0.502895  0.308125  0.423049  1
  Zr  Zr26  1  0.502895  0.652790  0.474695  1
  Zr  Zr27  1  0.502895  0.980284  0.449128  1
  Zr  Zr28  1  1.002895  0.390230  0.455782  1
  Zr  Zr29  1  1.002895  0.717787  0.430503  1
  Zr  Zr30  1  1.002895  0.062495  0.481799  1
  Zr  Zr31  1  1.002895  0.144079  0.436137  1
  Zr  Zr32  1  1.002895  0.489017  0.487316  1
  Zr  Zr33  1  1.002895  0.816601  0.462013  1
  Zr  Zr34  1  0.502895  0.226387  0.468724  1
  Zr  Zr35  1  0.502895  0.553945  0.443093  1
  Zr  Zr36  1  0.502895  0.898711  0.494775  1
  Zr  Zr37  1  0.502895  0.325266  0.500118  1
  Zr  Zr38  1  0.502895  0.670032  0.551800  1
  Zr  Zr39  1  0.502895  0.997589  0.526169  1
  Zr  Zr40  1  1.002895  0.407376  0.532880  1
  Zr  Zr41  1  1.002895  0.734960  0.507578  1
  Zr  Zr42  1  1.002895  0.079898  0.558756  1
  Zr  Zr43  1  1.002895  0.161482  0.513094  1
  Zr  Zr44  1  1.002895  0.506190  0.564390  1
  Zr  Zr45  1  1.002895  0.833747  0.539112  1
  Zr  Zr46  1  0.502895  0.243693  0.545765  1
  Zr  Zr47  1  0.502895  0.571187  0.520198  1
  Zr  Zr48  1  0.502895  0.915852  0.571844  1
  Zr  Zr49  1  0.502895  0.342411  0.577212  1
  Zr  Zr50  1  0.502895  0.687213  0.629094  1
  Zr  Zr51  1  0.502895  0.015003  0.603053  1
  Zr  Zr52  1  1.002895  0.424470  0.609918  1
  Zr  Zr53  1  1.002895  0.752180  0.584740  1
  Zr  Zr54  1  1.002895  0.097442  0.635891  1
  Zr  Zr55  1  1.002895  0.178919  0.590129  1
  Zr  Zr56  1  1.002895  0.523184  0.641566  1
  Zr  Zr57  1  1.002895  0.851052  0.616468  1
  Zr  Zr58  1  0.502895  0.261079  0.623129  1
  Zr  Zr59  1  0.502895  0.588260  0.597276  1
  Zr  Zr60  1  0.502895  0.933194  0.649073  1
  Zr  Zr61  1  0.502895  0.359542  0.654506  1
  Zr  Zr62  1  0.502895  0.702899  0.703554  1
  Zr  Zr63  1  0.502895  0.032221  0.679826  1
  Zr  Zr64  1  1.002895  0.441470  0.686396  1
  Zr  Zr65  1  1.002895  0.769663  0.661817  1
  Zr  Zr66  1  1.002895  0.114067  0.710422  1
  Zr  Zr67  1  1.002895  0.195847  0.667288  1
  Zr  Zr68  1  1.002895  0.539050  0.715792  1
  Zr  Zr69  1  1.002895  0.867179  0.692062  1
  Zr  Zr70  1  0.502895  0.278211  0.697754  1
  Zr  Zr71  1  0.502895  0.605448  0.674134  1
  Zr  Zr72  1  0.502895  0.950037  0.721815  1
  Ni  Ni73  1  0.502895  0.384031  0.338392  1
  Ni  Ni74  1  0.502895  0.712267  0.313546  1
  Ni  Ni75  1  0.502895  0.038875  0.286513  1
  Ni  Ni76  1  1.002895  0.262942  0.309538  1
  Ni  Ni77  1  1.002895  0.590424  0.282642  1
  Ni  Ni78  1  1.002895  0.934985  0.334838  1
  Ni  Ni79  1  1.002895  0.203225  0.274018  1
  Ni  Ni80  1  1.002895  0.547767  0.325971  1
  Ni  Ni81  1  1.002895  0.875396  0.299241  1
  Ni  Ni82  1  0.502895  0.098595  0.322066  1
  Ni  Ni83  1  0.502895  0.427085  0.295080  1
  Ni  Ni84  1  0.502895  0.753676  0.270755  1
  Ni  Ni85  1  0.502895  0.400733  0.415655  1
  Ni  Ni86  1  0.502895  0.728435  0.390486  1
  Ni  Ni87  1  0.502895  0.055507  0.364817  1
  Ni  Ni88  1  1.002895  0.280209  0.386139  1
  Ni  Ni89  1  1.002895  0.608061  0.360728  1
  Ni  Ni90  1  1.002895  0.952505  0.412023  1
  Ni  Ni91  1  1.002895  0.219404  0.352077  1
  Ni  Ni92  1  1.002895  0.564511  0.403065  1
  Ni  Ni93  1  1.002895  0.891881  0.377601  1
  Ni  Ni94  1  0.502895  0.116202  0.399143  1
  Ni  Ni95  1  0.502895  0.444017  0.373103  1
  Ni  Ni96  1  0.502895  0.772349  0.347873  1
  Ni  Ni97  1  0.502895  0.417963  0.492832  1
  Ni  Ni98  1  0.502895  0.745520  0.467552  1
  Ni  Ni99  1  0.502895  0.072980  0.441742  1
  Ni  Ni100  1  1.002895  0.297508  0.463092  1
  Ni  Ni101  1  1.002895  0.625025  0.437604  1
  Ni  Ni102  1  1.002895  0.969782  0.489175  1
  Ni  Ni103  1  1.002895  0.236934  0.428698  1
  Ni  Ni104  1  1.002895  0.581728  0.480168  1
  Ni  Ni105  1  1.002895  0.909283  0.454704  1
  Ni  Ni106  1  0.502895  0.133617  0.476140  1
  Ni  Ni107  1  0.502895  0.461241  0.450208  1
  Ni  Ni108  1  0.502895  0.788872  0.424989  1
  Ni  Ni109  1  0.502895  0.435105  0.569904  1
  Ni  Ni110  1  0.502895  0.762736  0.544685  1
  Ni  Ni111  1  0.502895  0.090360  0.518753  1
  Ni  Ni112  1  1.002895  0.314693  0.540189  1
  Ni  Ni113  1  1.002895  0.642249  0.514725  1
  Ni  Ni114  1  1.002895  0.987043  0.566195  1
  Ni  Ni115  1  1.002895  0.254194  0.505718  1
  Ni  Ni116  1  1.002895  0.598952  0.557289  1
  Ni  Ni117  1  1.002895  0.926469  0.531801  1
  Ni  Ni118  1  0.502895  0.150997  0.553151  1
  Ni  Ni119  1  0.502895  0.478457  0.527341  1
  Ni  Ni120  1  0.502895  0.806014  0.502061  1
  Ni  Ni121  1  0.502895  0.451628  0.647020  1
  Ni  Ni122  1  0.502895  0.779960  0.621790  1
  Ni  Ni123  1  0.502895  0.107775  0.595750  1
  Ni  Ni124  1  1.002895  0.332095  0.617292  1
  Ni  Ni125  1  1.002895  0.659465  0.591828  1
  Ni  Ni126  1  1.002895  0.004573  0.642816  1
  Ni  Ni127  1  1.002895  0.271472  0.582870  1
  Ni  Ni128  1  1.002895  0.615916  0.634165  1
  Ni  Ni129  1  1.002895  0.943768  0.608754  1
  Ni  Ni130  1  0.502895  0.168470  0.630077  1
  Ni  Ni131  1  0.502895  0.495542  0.604407  1
  Ni  Ni132  1  0.502895  0.823244  0.579238  1
  Ni  Ni133  1  0.502895  0.470301  0.724138  1
  Ni  Ni134  1  0.502895  0.796892  0.699813  1
  Ni  Ni135  1  0.502895  0.125382  0.672827  1
  Ni  Ni136  1  1.002895  0.348581  0.695652  1
  Ni  Ni137  1  1.002895  0.676210  0.668922  1
  Ni  Ni138  1  1.002895  0.020752  0.720875  1
  Ni  Ni139  1  1.002895  0.288992  0.660055  1
  Ni  Ni140  1  1.002895  0.633553  0.712251  1
  Ni  Ni141  1  1.002895  0.961035  0.685355  1
  Ni  Ni142  1  0.502895  0.185102  0.708380  1
  Ni  Ni143  1  0.502895  0.511710  0.681347  1
  Ni  Ni144  1  0.502895  0.839946  0.656502  1
