# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79197891
_cell_length_b   14.27046143
_cell_length_c   48.50100284
_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   'Zr96 Ni96'
_cell_volume   6777.33891745
_cell_formula_units_Z   96
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  0.651807  0.259334  0.293974  1
  Zr  Zr2  1  0.638735  0.625317  0.275402  1
  Zr  Zr3  1  0.648860  0.901815  0.314375  1
  Zr  Zr4  1  0.865268  0.442409  0.284933  1
  Zr  Zr5  1  0.871003  0.808168  0.268261  1
  Zr  Zr6  1  0.862971  0.077384  0.302629  1
  Zr  Zr7  1  0.135781  0.308168  0.268261  1
  Zr  Zr8  1  0.143813  0.577384  0.302629  1
  Zr  Zr9  1  0.141516  0.942409  0.284933  1
  Zr  Zr10  1  0.357923  0.401815  0.314375  1
  Zr  Zr11  1  0.354977  0.759334  0.293974  1
  Zr  Zr12  1  0.368049  0.125317  0.275402  1
  Zr  Zr13  1  0.641709  0.165711  0.353149  1
  Zr  Zr14  1  0.647377  0.533705  0.333993  1
  Zr  Zr15  1  0.635050  0.797712  0.373601  1
  Zr  Zr16  1  0.862187  0.349955  0.344561  1
  Zr  Zr17  1  0.852205  0.716734  0.325443  1
  Zr  Zr18  1  0.868419  0.982902  0.364157  1
  Zr  Zr19  1  0.154579  0.216734  0.325443  1
  Zr  Zr20  1  0.138364  0.482902  0.364157  1
  Zr  Zr21  1  0.144597  0.849955  0.344561  1
  Zr  Zr22  1  0.371734  0.297712  0.373601  1
  Zr  Zr23  1  0.365075  0.665711  0.353149  1
  Zr  Zr24  1  0.359407  0.033705  0.333993  1
  Zr  Zr25  1  0.640259  0.059075  0.412901  1
  Zr  Zr26  1  0.639225  0.427393  0.393373  1
  Zr  Zr27  1  0.643014  0.692415  0.432698  1
  Zr  Zr28  1  0.866049  0.241540  0.402708  1
  Zr  Zr29  1  0.870755  0.611013  0.383634  1
  Zr  Zr30  1  0.862561  0.875586  0.422895  1
  Zr  Zr31  1  0.136029  0.111013  0.383634  1
  Zr  Zr32  1  0.144223  0.375586  0.422895  1
  Zr  Zr33  1  0.140735  0.741540  0.402708  1
  Zr  Zr34  1  0.363770  0.192415  0.432698  1
  Zr  Zr35  1  0.366525  0.559075  0.412901  1
  Zr  Zr36  1  0.367559  0.927393  0.393373  1
  Zr  Zr37  1  0.642799  0.962467  0.472209  1
  Zr  Zr38  1  0.644156  0.327315  0.452428  1
  Zr  Zr39  1  0.640667  0.596180  0.491987  1
  Zr  Zr40  1  0.865034  0.145751  0.462787  1
  Zr  Zr41  1  0.862773  0.511033  0.443247  1
  Zr  Zr42  1  0.866685  0.778430  0.481969  1
  Zr  Zr43  1  0.144011  0.011033  0.443247  1
  Zr  Zr44  1  0.140098  0.278430  0.481969  1
  Zr  Zr45  1  0.141750  0.645751  0.462787  1
  Zr  Zr46  1  0.366117  0.096180  0.491987  1
  Zr  Zr47  1  0.363985  0.462467  0.472209  1
  Zr  Zr48  1  0.362628  0.827315  0.452428  1
  Zr  Zr49  1  0.641750  0.861250  0.530593  1
  Zr  Zr50  1  0.640098  0.228571  0.511412  1
  Zr  Zr51  1  0.644011  0.495968  0.550133  1
  Zr  Zr52  1  0.863985  0.044535  0.521172  1
  Zr  Zr53  1  0.866117  0.410821  0.501394  1
  Zr  Zr54  1  0.862628  0.679686  0.540953  1
  Zr  Zr55  1  0.140667  0.910821  0.501394  1
  Zr  Zr56  1  0.144156  0.179686  0.540953  1
  Zr  Zr57  1  0.142799  0.544535  0.521172  1
  Zr  Zr58  1  0.362773  0.995968  0.550133  1
  Zr  Zr59  1  0.365034  0.361250  0.530593  1
  Zr  Zr60  1  0.366685  0.728571  0.511412  1
  Zr  Zr61  1  0.640735  0.765461  0.590672  1
  Zr  Zr62  1  0.644223  0.131415  0.570486  1
  Zr  Zr63  1  0.636029  0.395988  0.609747  1
  Zr  Zr64  1  0.866525  0.947926  0.580480  1
  Zr  Zr65  1  0.863770  0.314586  0.560683  1
  Zr  Zr66  1  0.867559  0.579608  0.600008  1
  Zr  Zr67  1  0.143014  0.814586  0.560683  1
  Zr  Zr68  1  0.139225  0.079608  0.600008  1
  Zr  Zr69  1  0.140259  0.447926  0.580480  1
  Zr  Zr70  1  0.370755  0.895988  0.609747  1
  Zr  Zr71  1  0.366049  0.265461  0.590672  1
  Zr  Zr72  1  0.362561  0.631415  0.570486  1
  Zr  Zr73  1  0.644597  0.657046  0.648820  1
  Zr  Zr74  1  0.638364  0.024099  0.629223  1
  Zr  Zr75  1  0.654579  0.290267  0.667938  1
  Zr  Zr76  1  0.865075  0.841290  0.640231  1
  Zr  Zr77  1  0.871734  0.209290  0.619779  1
  Zr  Zr78  1  0.859407  0.473296  0.659387  1
  Zr  Zr79  1  0.135050  0.709290  0.619779  1
  Zr  Zr80  1  0.147377  0.973296  0.659387  1
  Zr  Zr81  1  0.141709  0.341290  0.640231  1
  Zr  Zr82  1  0.352205  0.790267  0.667938  1
  Zr  Zr83  1  0.362187  0.157046  0.648820  1
  Zr  Zr84  1  0.368419  0.524099  0.629223  1
  Zr  Zr85  1  0.641516  0.564592  0.708448  1
  Zr  Zr86  1  0.643813  0.929617  0.690751  1
  Zr  Zr87  1  0.635781  0.198834  0.725119  1
  Zr  Zr88  1  0.854977  0.747667  0.699407  1
  Zr  Zr89  1  0.857923  0.105186  0.679005  1
  Zr  Zr90  1  0.868049  0.381684  0.717978  1
  Zr  Zr91  1  0.148860  0.605186  0.679005  1
  Zr  Zr92  1  0.138735  0.881684  0.717978  1
  Zr  Zr93  1  0.151807  0.247667  0.699407  1
  Zr  Zr94  1  0.371003  0.698834  0.725119  1
  Zr  Zr95  1  0.365268  0.064592  0.708448  1
  Zr  Zr96  1  0.362971  0.429617  0.690751  1
  Ni  Ni97  1  0.925901  0.254819  0.299250  1
  Ni  Ni98  1  0.910051  0.623681  0.281719  1
  Ni  Ni99  1  0.926610  0.894779  0.316271  1
  Ni  Ni100  1  0.585215  0.437571  0.289122  1
  Ni  Ni101  1  0.592405  0.804422  0.272052  1
  Ni  Ni102  1  0.582273  0.076186  0.306272  1
  Ni  Ni103  1  0.414379  0.304422  0.272052  1
  Ni  Ni104  1  0.424511  0.576186  0.306272  1
  Ni  Ni105  1  0.421569  0.937571  0.289122  1
  Ni  Ni106  1  0.080174  0.394779  0.316271  1
  Ni  Ni107  1  0.080883  0.754819  0.299250  1
  Ni  Ni108  1  0.096733  0.123681  0.281719  1
  Ni  Ni109  1  0.922521  0.168921  0.349643  1
  Ni  Ni110  1  0.924939  0.535371  0.331159  1
  Ni  Ni111  1  0.922236  0.796944  0.373503  1
  Ni  Ni112  1  0.583596  0.353088  0.339931  1
  Ni  Ni113  1  0.578229  0.718822  0.321082  1
  Ni  Ni114  1  0.583118  0.983252  0.362148  1
  Ni  Ni115  1  0.428555  0.218822  0.321082  1
  Ni  Ni116  1  0.423666  0.483252  0.362148  1
  Ni  Ni117  1  0.423188  0.853088  0.339931  1
  Ni  Ni118  1  0.084548  0.296944  0.373503  1
  Ni  Ni119  1  0.084263  0.668921  0.349643  1
  Ni  Ni120  1  0.081845  0.035371  0.331159  1
  Ni  Ni121  1  0.921626  0.056679  0.415597  1
  Ni  Ni122  1  0.921665  0.424935  0.395508  1
  Ni  Ni123  1  0.923674  0.693099  0.433085  1
  Ni  Ni124  1  0.585287  0.241544  0.404587  1
  Ni  Ni125  1  0.585939  0.612432  0.383476  1
  Ni  Ni126  1  0.582958  0.874501  0.424321  1
  Ni  Ni127  1  0.420845  0.112432  0.383476  1
  Ni  Ni128  1  0.423826  0.374501  0.424321  1
  Ni  Ni129  1  0.421497  0.741544  0.404587  1
  Ni  Ni130  1  0.083110  0.193099  0.433085  1
  Ni  Ni131  1  0.085158  0.556679  0.415597  1
  Ni  Ni132  1  0.085119  0.924935  0.395508  1
  Ni  Ni133  1  0.922827  0.962641  0.471388  1
  Ni  Ni134  1  0.923721  0.329184  0.451332  1
  Ni  Ni135  1  0.922281  0.594425  0.492389  1
  Ni  Ni136  1  0.584021  0.145352  0.461805  1
  Ni  Ni137  1  0.583354  0.509543  0.443329  1
  Ni  Ni138  1  0.584660  0.780031  0.480670  1
  Ni  Ni139  1  0.423430  0.009543  0.443329  1
  Ni  Ni140  1  0.422124  0.280031  0.480670  1
  Ni  Ni141  1  0.422763  0.645352  0.461805  1
  Ni  Ni142  1  0.084503  0.094425  0.492389  1
  Ni  Ni143  1  0.083957  0.462641  0.471388  1
  Ni  Ni144  1  0.083063  0.829184  0.451332  1
  Ni  Ni145  1  0.922763  0.861650  0.531575  1
  Ni  Ni146  1  0.922124  0.226970  0.512711  1
  Ni  Ni147  1  0.923430  0.497458  0.550052  1
  Ni  Ni148  1  0.583957  0.044360  0.521992  1
  Ni  Ni149  1  0.584503  0.412576  0.500991  1
  Ni  Ni150  1  0.583063  0.677817  0.542049  1
  Ni  Ni151  1  0.422281  0.912576  0.500991  1
  Ni  Ni152  1  0.423721  0.177817  0.542049  1
  Ni  Ni153  1  0.422827  0.544360  0.521992  1
  Ni  Ni154  1  0.083354  0.997458  0.550052  1
  Ni  Ni155  1  0.084021  0.361650  0.531575  1
  Ni  Ni156  1  0.084660  0.726970  0.512711  1
  Ni  Ni157  1  0.921497  0.765457  0.588793  1
  Ni  Ni158  1  0.923826  0.132500  0.569059  1
  Ni  Ni159  1  0.920845  0.394569  0.609905  1
  Ni  Ni160  1  0.585158  0.950322  0.577783  1
  Ni  Ni161  1  0.583110  0.313902  0.560295  1
  Ni  Ni162  1  0.585119  0.582066  0.597872  1
  Ni  Ni163  1  0.423674  0.813902  0.560295  1
  Ni  Ni164  1  0.421665  0.082066  0.597872  1
  Ni  Ni165  1  0.421626  0.450322  0.577783  1
  Ni  Ni166  1  0.085939  0.894569  0.609905  1
  Ni  Ni167  1  0.085287  0.265457  0.588793  1
  Ni  Ni168  1  0.082958  0.632500  0.569059  1
  Ni  Ni169  1  0.923188  0.653914  0.653449  1
  Ni  Ni170  1  0.923666  0.023749  0.631233  1
  Ni  Ni171  1  0.928555  0.288179  0.672299  1
  Ni  Ni172  1  0.584263  0.838081  0.643738  1
  Ni  Ni173  1  0.584548  0.210058  0.619878  1
  Ni  Ni174  1  0.581845  0.471631  0.662222  1
  Ni  Ni175  1  0.422236  0.710058  0.619878  1
  Ni  Ni176  1  0.424939  0.971631  0.662222  1
  Ni  Ni177  1  0.422521  0.338081  0.643738  1
  Ni  Ni178  1  0.078229  0.788179  0.672299  1
  Ni  Ni179  1  0.083596  0.153914  0.653449  1
  Ni  Ni180  1  0.083118  0.523749  0.631233  1
  Ni  Ni181  1  0.921569  0.569430  0.704259  1
  Ni  Ni182  1  0.924511  0.930815  0.687109  1
  Ni  Ni183  1  0.914379  0.202579  0.721328  1
  Ni  Ni184  1  0.580883  0.752182  0.694131  1
  Ni  Ni185  1  0.580174  0.112223  0.677109  1
  Ni  Ni186  1  0.596733  0.383320  0.711661  1
  Ni  Ni187  1  0.426610  0.612223  0.677109  1
  Ni  Ni188  1  0.410051  0.883320  0.711661  1
  Ni  Ni189  1  0.425901  0.252182  0.694131  1
  Ni  Ni190  1  0.092405  0.702579  0.721328  1
  Ni  Ni191  1  0.085215  0.069430  0.704259  1
  Ni  Ni192  1  0.082273  0.430815  0.687109  1
