# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.63145687
_cell_length_b   5.26964280
_cell_length_c   47.30777509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.29106643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr96 Ni96'
_cell_volume   7362.04229337
_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  0.170114  0.254972  0.305243  1
  Zr  Zr2  1  0.500624  0.113826  0.322913  1
  Zr  Zr3  1  0.840196  0.399908  0.287013  1
  Zr  Zr4  1  0.244262  0.726932  0.308562  1
  Zr  Zr5  1  0.575259  0.580452  0.327053  1
  Zr  Zr6  1  0.913189  0.866919  0.291050  1
  Zr  Zr7  1  1.000624  0.113826  0.322913  1
  Zr  Zr8  1  0.340196  0.399908  0.287013  1
  Zr  Zr9  1  0.670114  0.254972  0.305243  1
  Zr  Zr10  1  0.075259  0.580452  0.327053  1
  Zr  Zr11  1  0.413189  0.866919  0.291050  1
  Zr  Zr12  1  0.744262  0.726932  0.308562  1
  Zr  Zr13  1  0.162418  0.799710  0.357976  1
  Zr  Zr14  1  0.493202  0.643805  0.376072  1
  Zr  Zr15  1  0.831507  0.951885  0.339894  1
  Zr  Zr16  1  0.237055  0.263222  0.361978  1
  Zr  Zr17  1  0.567866  0.109612  0.380173  1
  Zr  Zr18  1  0.906247  0.418108  0.344080  1
  Zr  Zr19  1  0.993202  0.643805  0.376072  1
  Zr  Zr20  1  0.331507  0.951885  0.339894  1
  Zr  Zr21  1  0.662418  0.799710  0.357976  1
  Zr  Zr22  1  0.067866  0.109612  0.380173  1
  Zr  Zr23  1  0.406247  0.418108  0.344080  1
  Zr  Zr24  1  0.737055  0.263222  0.361978  1
  Zr  Zr25  1  0.154748  0.338740  0.413876  1
  Zr  Zr26  1  0.485594  0.187197  0.432610  1
  Zr  Zr27  1  0.823995  0.490774  0.395565  1
  Zr  Zr28  1  0.228706  0.805556  0.418343  1
  Zr  Zr29  1  0.559468  0.653167  0.436693  1
  Zr  Zr30  1  0.898183  0.956648  0.399689  1
  Zr  Zr31  1  0.985594  0.187197  0.432610  1
  Zr  Zr32  1  0.323995  0.490774  0.395565  1
  Zr  Zr33  1  0.654748  0.338740  0.413876  1
  Zr  Zr34  1  0.059468  0.653167  0.436693  1
  Zr  Zr35  1  0.398183  0.956648  0.399689  1
  Zr  Zr36  1  0.728706  0.805556  0.418343  1
  Zr  Zr37  1  0.146740  0.881809  0.469825  1
  Zr  Zr38  1  0.477462  0.729027  0.488256  1
  Zr  Zr39  1  0.816100  0.034338  0.451427  1
  Zr  Zr40  1  0.220922  0.347406  0.473952  1
  Zr  Zr41  1  0.551727  0.194817  0.492384  1
  Zr  Zr42  1  0.890224  0.500147  0.455533  1
  Zr  Zr43  1  0.977462  0.729027  0.488256  1
  Zr  Zr44  1  0.316100  0.034338  0.451427  1
  Zr  Zr45  1  0.646740  0.881809  0.469825  1
  Zr  Zr46  1  0.051727  0.194817  0.492384  1
  Zr  Zr47  1  0.390224  0.500147  0.455533  1
  Zr  Zr48  1  0.720922  0.347406  0.473952  1
  Zr  Zr49  1  0.138912  0.423112  0.525386  1
  Zr  Zr50  1  0.469611  0.270371  0.543804  1
  Zr  Zr51  1  0.808107  0.575701  0.506953  1
  Zr  Zr52  1  0.213095  0.888709  0.529512  1
  Zr  Zr53  1  0.543735  0.736179  0.547910  1
  Zr  Zr54  1  0.882373  0.041490  0.511081  1
  Zr  Zr55  1  0.969611  0.270371  0.543804  1
  Zr  Zr56  1  0.308107  0.575701  0.506953  1
  Zr  Zr57  1  0.638912  0.423112  0.525386  1
  Zr  Zr58  1  0.043735  0.736179  0.547910  1
  Zr  Zr59  1  0.382373  0.041490  0.511081  1
  Zr  Zr60  1  0.713095  0.888709  0.529512  1
  Zr  Zr61  1  0.131128  0.964962  0.580994  1
  Zr  Zr62  1  0.461651  0.813870  0.599648  1
  Zr  Zr63  1  0.800367  0.117351  0.562645  1
  Zr  Zr64  1  0.205087  0.431778  0.585461  1
  Zr  Zr65  1  0.535840  0.279744  0.603773  1
  Zr  Zr66  1  0.874240  0.583320  0.566727  1
  Zr  Zr67  1  0.961651  0.813870  0.599648  1
  Zr  Zr68  1  0.300367  0.117351  0.562645  1
  Zr  Zr69  1  0.631128  0.964962  0.580994  1
  Zr  Zr70  1  0.035840  0.279744  0.603773  1
  Zr  Zr71  1  0.374240  0.583320  0.566727  1
  Zr  Zr72  1  0.705087  0.431778  0.585461  1
  Zr  Zr73  1  0.122780  0.507295  0.637359  1
  Zr  Zr74  1  0.453587  0.352410  0.655257  1
  Zr  Zr75  1  0.791968  0.660905  0.619164  1
  Zr  Zr76  1  0.197417  0.970808  0.641361  1
  Zr  Zr77  1  0.528327  0.818633  0.659443  1
  Zr  Zr78  1  0.866632  0.126712  0.623266  1
  Zr  Zr79  1  0.953587  0.352410  0.655257  1
  Zr  Zr80  1  0.291968  0.660905  0.619164  1
  Zr  Zr81  1  0.622780  0.507295  0.637359  1
  Zr  Zr82  1  0.028327  0.818633  0.659443  1
  Zr  Zr83  1  0.366632  0.126712  0.623266  1
  Zr  Zr84  1  0.697417  0.970808  0.641361  1
  Zr  Zr85  1  0.115572  0.043586  0.690775  1
  Zr  Zr86  1  0.446646  0.903599  0.708288  1
  Zr  Zr87  1  0.784575  0.190065  0.672284  1
  Zr  Zr88  1  0.189720  0.515546  0.694094  1
  Zr  Zr89  1  0.519639  0.370610  0.712324  1
  Zr  Zr90  1  0.859210  0.656691  0.676425  1
  Zr  Zr91  1  0.946646  0.903599  0.708288  1
  Zr  Zr92  1  0.284575  0.190065  0.672284  1
  Zr  Zr93  1  0.615572  0.043586  0.690775  1
  Zr  Zr94  1  0.019639  0.370610  0.712324  1
  Zr  Zr95  1  0.359210  0.656691  0.676425  1
  Zr  Zr96  1  0.689720  0.515546  0.694094  1
  Ni  Ni97  1  0.263400  0.213239  0.306803  1
  Ni  Ni98  1  0.594132  0.067295  0.325224  1
  Ni  Ni99  1  0.933630  0.352854  0.289591  1
  Ni  Ni100  1  0.150599  0.759357  0.301443  1
  Ni  Ni101  1  0.482583  0.616733  0.319037  1
  Ni  Ni102  1  0.820490  0.903265  0.283384  1
  Ni  Ni103  1  0.094132  0.067295  0.325224  1
  Ni  Ni104  1  0.433630  0.352854  0.289591  1
  Ni  Ni105  1  0.763400  0.213239  0.306803  1
  Ni  Ni106  1  0.982583  0.616733  0.319037  1
  Ni  Ni107  1  0.320490  0.903265  0.283384  1
  Ni  Ni108  1  0.650599  0.759357  0.301443  1
  Ni  Ni109  1  0.256007  0.754447  0.364240  1
  Ni  Ni110  1  0.586603  0.601639  0.382500  1
  Ni  Ni111  1  0.926187  0.910226  0.344963  1
  Ni  Ni112  1  0.142714  0.310516  0.356895  1
  Ni  Ni113  1  0.474146  0.153390  0.376336  1
  Ni  Ni114  1  0.811627  0.461904  0.338477  1
  Ni  Ni115  1  0.086603  0.601639  0.382500  1
  Ni  Ni116  1  0.426187  0.910226  0.344963  1
  Ni  Ni117  1  0.756007  0.754447  0.364240  1
  Ni  Ni118  1  0.974146  0.153390  0.376336  1
  Ni  Ni119  1  0.311627  0.461904  0.338477  1
  Ni  Ni120  1  0.642714  0.310516  0.356895  1
  Ni  Ni121  1  0.248139  0.296557  0.419285  1
  Ni  Ni122  1  0.578929  0.144173  0.437580  1
  Ni  Ni123  1  0.917430  0.447385  0.401239  1
  Ni  Ni124  1  0.135377  0.847233  0.413215  1
  Ni  Ni125  1  0.466177  0.696066  0.431349  1
  Ni  Ni126  1  0.804654  0.999668  0.395008  1
  Ni  Ni127  1  0.078929  0.144173  0.437580  1
  Ni  Ni128  1  0.417430  0.447385  0.401239  1
  Ni  Ni129  1  0.748139  0.296557  0.419285  1
  Ni  Ni130  1  0.966177  0.696066  0.431349  1
  Ni  Ni131  1  0.304654  0.999668  0.395008  1
  Ni  Ni132  1  0.635377  0.847233  0.413215  1
  Ni  Ni133  1  0.240306  0.838458  0.475002  1
  Ni  Ni134  1  0.571042  0.685698  0.493408  1
  Ni  Ni135  1  0.909711  0.991283  0.456333  1
  Ni  Ni136  1  0.127422  0.390845  0.468428  1
  Ni  Ni137  1  0.458155  0.237936  0.487129  1
  Ni  Ni138  1  0.796697  0.543324  0.450053  1
  Ni  Ni139  1  0.071042  0.685698  0.493408  1
  Ni  Ni140  1  0.409711  0.991283  0.456333  1
  Ni  Ni141  1  0.740306  0.838458  0.475002  1
  Ni  Ni142  1  0.958155  0.237936  0.487129  1
  Ni  Ni143  1  0.296697  0.543324  0.450053  1
  Ni  Ni144  1  0.627422  0.390845  0.468428  1
  Ni  Ni145  1  0.232412  0.379672  0.530910  1
  Ni  Ni146  1  0.563138  0.227194  0.549284  1
  Ni  Ni147  1  0.901679  0.532582  0.512209  1
  Ni  Ni148  1  0.119528  0.932059  0.524336  1
  Ni  Ni149  1  0.450124  0.779235  0.543004  1
  Ni  Ni150  1  0.788793  0.084820  0.505930  1
  Ni  Ni151  1  0.063138  0.227194  0.549284  1
  Ni  Ni152  1  0.401679  0.532582  0.512209  1
  Ni  Ni153  1  0.732412  0.379672  0.530910  1
  Ni  Ni154  1  0.950124  0.779235  0.543004  1
  Ni  Ni155  1  0.288793  0.084820  0.505930  1
  Ni  Ni156  1  0.619528  0.932059  0.524336  1
  Ni  Ni157  1  0.224458  0.923284  0.586122  1
  Ni  Ni158  1  0.555181  0.770849  0.604329  1
  Ni  Ni159  1  0.893657  0.074452  0.567988  1
  Ni  Ni160  1  0.111695  0.473961  0.580053  1
  Ni  Ni161  1  0.442405  0.323133  0.598098  1
  Ni  Ni162  1  0.780906  0.626345  0.561757  1
  Ni  Ni163  1  0.055181  0.770849  0.604329  1
  Ni  Ni164  1  0.393657  0.074452  0.567988  1
  Ni  Ni165  1  0.724458  0.923284  0.586122  1
  Ni  Ni166  1  0.942405  0.323133  0.598098  1
  Ni  Ni167  1  0.280906  0.626345  0.561757  1
  Ni  Ni168  1  0.611695  0.473961  0.580053  1
  Ni  Ni169  1  0.217121  0.460002  0.642443  1
  Ni  Ni170  1  0.548208  0.308614  0.660861  1
  Ni  Ni171  1  0.885688  0.617128  0.623001  1
  Ni  Ni172  1  0.103827  0.016071  0.635098  1
  Ni  Ni173  1  0.433647  0.860292  0.654375  1
  Ni  Ni174  1  0.773232  0.168879  0.616837  1
  Ni  Ni175  1  0.048208  0.308614  0.660861  1
  Ni  Ni176  1  0.385688  0.617128  0.623001  1
  Ni  Ni177  1  0.717121  0.460002  0.642443  1
  Ni  Ni178  1  0.933647  0.860292  0.654375  1
  Ni  Ni179  1  0.273232  0.168879  0.616837  1
  Ni  Ni180  1  0.603827  0.016071  0.635098  1
  Ni  Ni181  1  0.209236  0.011161  0.697894  1
  Ni  Ni182  1  0.539345  0.867253  0.715953  1
  Ni  Ni183  1  0.877251  0.153785  0.680300  1
  Ni  Ni184  1  0.096435  0.557278  0.692535  1
  Ni  Ni185  1  0.426204  0.417664  0.709747  1
  Ni  Ni186  1  0.765702  0.703223  0.674113  1
  Ni  Ni187  1  0.039345  0.867253  0.715953  1
  Ni  Ni188  1  0.377251  0.153785  0.680300  1
  Ni  Ni189  1  0.709236  0.011161  0.697894  1
  Ni  Ni190  1  0.926204  0.417664  0.709747  1
  Ni  Ni191  1  0.265702  0.703223  0.674113  1
  Ni  Ni192  1  0.596435  0.557278  0.692535  1
