# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.90462982
_cell_length_b   13.61950381
_cell_length_c   46.67699490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.62274035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr168 Ni168'
_cell_volume   13072.0643952
_cell_formula_units_Z   168
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  0.576625  0.234879  0.341839  1
  Zr  Zr2  1  0.076625  0.234879  0.341839  1
  Zr  Zr3  1  0.592936  0.610592  0.323400  1
  Zr  Zr4  1  0.606008  0.982920  0.302230  1
  Zr  Zr5  1  0.092936  0.610592  0.323400  1
  Zr  Zr6  1  0.106008  0.982920  0.302230  1
  Zr  Zr7  1  0.714250  0.144750  0.305092  1
  Zr  Zr8  1  0.214250  0.144750  0.305092  1
  Zr  Zr9  1  0.732170  0.525373  0.288674  1
  Zr  Zr10  1  0.702320  0.767345  0.324699  1
  Zr  Zr11  1  0.232170  0.525373  0.288674  1
  Zr  Zr12  1  0.202320  0.767345  0.324699  1
  Zr  Zr13  1  0.326625  0.234879  0.341839  1
  Zr  Zr14  1  0.826625  0.234879  0.341839  1
  Zr  Zr15  1  0.342936  0.610592  0.323400  1
  Zr  Zr16  1  0.356008  0.982920  0.302230  1
  Zr  Zr17  1  0.842936  0.610592  0.323400  1
  Zr  Zr18  1  0.856008  0.982920  0.302230  1
  Zr  Zr19  1  0.464250  0.144750  0.305092  1
  Zr  Zr20  1  0.964250  0.144750  0.305092  1
  Zr  Zr21  1  0.482170  0.525373  0.288674  1
  Zr  Zr22  1  0.452320  0.767345  0.324699  1
  Zr  Zr23  1  0.982170  0.525373  0.288674  1
  Zr  Zr24  1  0.952320  0.767345  0.324699  1
  Zr  Zr25  1  0.533842  0.107024  0.404056  1
  Zr  Zr26  1  0.033842  0.107024  0.404056  1
  Zr  Zr27  1  0.548832  0.482898  0.383174  1
  Zr  Zr28  1  0.563439  0.858652  0.361923  1
  Zr  Zr29  1  0.048832  0.482898  0.383174  1
  Zr  Zr30  1  0.063439  0.858652  0.361923  1
  Zr  Zr31  1  0.673403  0.017935  0.365686  1
  Zr  Zr32  1  0.173403  0.017935  0.365686  1
  Zr  Zr33  1  0.687068  0.394567  0.344848  1
  Zr  Zr34  1  0.658274  0.643868  0.387740  1
  Zr  Zr35  1  0.187068  0.394567  0.344848  1
  Zr  Zr36  1  0.158274  0.643868  0.387740  1
  Zr  Zr37  1  0.283842  0.107024  0.404056  1
  Zr  Zr38  1  0.783842  0.107024  0.404056  1
  Zr  Zr39  1  0.298832  0.482898  0.383174  1
  Zr  Zr40  1  0.313439  0.858652  0.361923  1
  Zr  Zr41  1  0.798832  0.482898  0.383174  1
  Zr  Zr42  1  0.813439  0.858652  0.361923  1
  Zr  Zr43  1  0.423403  0.017935  0.365686  1
  Zr  Zr44  1  0.923403  0.017935  0.365686  1
  Zr  Zr45  1  0.437068  0.394567  0.344848  1
  Zr  Zr46  1  0.408274  0.643868  0.387740  1
  Zr  Zr47  1  0.937068  0.394567  0.344848  1
  Zr  Zr48  1  0.908274  0.643868  0.387740  1
  Zr  Zr49  1  0.489821  0.981360  0.467184  1
  Zr  Zr50  1  0.989821  0.981360  0.467184  1
  Zr  Zr51  1  0.504499  0.356543  0.446232  1
  Zr  Zr52  1  0.519132  0.732863  0.425933  1
  Zr  Zr53  1  0.004499  0.356543  0.446232  1
  Zr  Zr54  1  0.019132  0.732863  0.425933  1
  Zr  Zr55  1  0.628586  0.891771  0.428872  1
  Zr  Zr56  1  0.128586  0.891771  0.428872  1
  Zr  Zr57  1  0.643341  0.266712  0.407881  1
  Zr  Zr58  1  0.613949  0.516274  0.450003  1
  Zr  Zr59  1  0.143341  0.266712  0.407881  1
  Zr  Zr60  1  0.113949  0.516274  0.450003  1
  Zr  Zr61  1  0.239821  0.981360  0.467184  1
  Zr  Zr62  1  0.739821  0.981360  0.467184  1
  Zr  Zr63  1  0.254499  0.356543  0.446232  1
  Zr  Zr64  1  0.269132  0.732863  0.425933  1
  Zr  Zr65  1  0.754499  0.356543  0.446232  1
  Zr  Zr66  1  0.769132  0.732863  0.425933  1
  Zr  Zr67  1  0.378586  0.891771  0.428872  1
  Zr  Zr68  1  0.878586  0.891771  0.428872  1
  Zr  Zr69  1  0.393341  0.266712  0.407881  1
  Zr  Zr70  1  0.363949  0.516274  0.450003  1
  Zr  Zr71  1  0.893341  0.266712  0.407881  1
  Zr  Zr72  1  0.863949  0.516274  0.450003  1
  Zr  Zr73  1  0.445800  0.855075  0.530239  1
  Zr  Zr74  1  0.945800  0.855075  0.530239  1
  Zr  Zr75  1  0.460480  0.229760  0.508727  1
  Zr  Zr76  1  0.475101  0.606026  0.488278  1
  Zr  Zr77  1  0.960480  0.229760  0.508727  1
  Zr  Zr78  1  0.975101  0.606026  0.488278  1
  Zr  Zr79  1  0.584711  0.765737  0.492023  1
  Zr  Zr80  1  0.084711  0.765737  0.492023  1
  Zr  Zr81  1  0.599391  0.140423  0.470511  1
  Zr  Zr82  1  0.570091  0.389472  0.512472  1
  Zr  Zr83  1  0.099391  0.140423  0.470511  1
  Zr  Zr84  1  0.070091  0.389472  0.512472  1
  Zr  Zr85  1  0.195800  0.855075  0.530239  1
  Zr  Zr86  1  0.695800  0.855075  0.530239  1
  Zr  Zr87  1  0.210480  0.229760  0.508727  1
  Zr  Zr88  1  0.225101  0.606026  0.488278  1
  Zr  Zr89  1  0.710480  0.229760  0.508727  1
  Zr  Zr90  1  0.725101  0.606026  0.488278  1
  Zr  Zr91  1  0.334711  0.765737  0.492023  1
  Zr  Zr92  1  0.834711  0.765737  0.492023  1
  Zr  Zr93  1  0.349391  0.140423  0.470511  1
  Zr  Zr94  1  0.320091  0.389472  0.512472  1
  Zr  Zr95  1  0.849391  0.140423  0.470511  1
  Zr  Zr96  1  0.820091  0.389472  0.512472  1
  Zr  Zr97  1  0.401850  0.728785  0.592869  1
  Zr  Zr98  1  0.901850  0.728785  0.592869  1
  Zr  Zr99  1  0.416606  0.103727  0.571878  1
  Zr  Zr100  1  0.431243  0.479224  0.550747  1
  Zr  Zr101  1  0.916606  0.103727  0.571878  1
  Zr  Zr102  1  0.931243  0.479224  0.550747  1
  Zr  Zr103  1  0.540693  0.638954  0.554518  1
  Zr  Zr104  1  0.040693  0.638954  0.554518  1
  Zr  Zr105  1  0.555370  0.014138  0.533565  1
  Zr  Zr106  1  0.526059  0.262635  0.574816  1
  Zr  Zr107  1  0.055370  0.014138  0.533565  1
  Zr  Zr108  1  0.026059  0.262635  0.574816  1
  Zr  Zr109  1  0.151850  0.728785  0.592869  1
  Zr  Zr110  1  0.651850  0.728785  0.592869  1
  Zr  Zr111  1  0.166606  0.103727  0.571878  1
  Zr  Zr112  1  0.181243  0.479224  0.550747  1
  Zr  Zr113  1  0.666606  0.103727  0.571878  1
  Zr  Zr114  1  0.681243  0.479224  0.550747  1
  Zr  Zr115  1  0.290693  0.638954  0.554518  1
  Zr  Zr116  1  0.790693  0.638954  0.554518  1
  Zr  Zr117  1  0.305370  0.014138  0.533565  1
  Zr  Zr118  1  0.276059  0.262635  0.574816  1
  Zr  Zr119  1  0.805370  0.014138  0.533565  1
  Zr  Zr120  1  0.776059  0.262635  0.574816  1
  Zr  Zr121  1  0.358123  0.600930  0.655902  1
  Zr  Zr122  1  0.858123  0.600930  0.655902  1
  Zr  Zr123  1  0.371789  0.977563  0.635064  1
  Zr  Zr124  1  0.386918  0.351629  0.613010  1
  Zr  Zr125  1  0.871789  0.977563  0.635064  1
  Zr  Zr126  1  0.886918  0.351629  0.613010  1
  Zr  Zr127  1  0.496359  0.512599  0.617575  1
  Zr  Zr128  1  0.996359  0.512599  0.617575  1
  Zr  Zr129  1  0.511350  0.888474  0.596694  1
  Zr  Zr130  1  0.481753  0.136846  0.638827  1
  Zr  Zr131  1  0.011350  0.888474  0.596694  1
  Zr  Zr132  1  0.981753  0.136846  0.638827  1
  Zr  Zr133  1  0.108123  0.600930  0.655902  1
  Zr  Zr134  1  0.608123  0.600930  0.655902  1
  Zr  Zr135  1  0.121789  0.977563  0.635064  1
  Zr  Zr136  1  0.136918  0.351629  0.613010  1
  Zr  Zr137  1  0.621789  0.977563  0.635064  1
  Zr  Zr138  1  0.636918  0.351629  0.613010  1
  Zr  Zr139  1  0.246359  0.512599  0.617575  1
  Zr  Zr140  1  0.746359  0.512599  0.617575  1
  Zr  Zr141  1  0.261350  0.888474  0.596694  1
  Zr  Zr142  1  0.231753  0.136846  0.638827  1
  Zr  Zr143  1  0.761350  0.888474  0.596694  1
  Zr  Zr144  1  0.731753  0.136846  0.638827  1
  Zr  Zr145  1  0.313022  0.470125  0.712075  1
  Zr  Zr146  1  0.813022  0.470125  0.712075  1
  Zr  Zr147  1  0.330942  0.850747  0.695658  1
  Zr  Zr148  1  0.342871  0.228152  0.676050  1
  Zr  Zr149  1  0.830942  0.850747  0.695658  1
  Zr  Zr150  1  0.842871  0.228152  0.676050  1
  Zr  Zr151  1  0.452256  0.384905  0.677350  1
  Zr  Zr152  1  0.952256  0.384905  0.677350  1
  Zr  Zr153  1  0.468566  0.760619  0.658911  1
  Zr  Zr154  1  0.439184  0.012577  0.698520  1
  Zr  Zr155  1  0.968566  0.760619  0.658911  1
  Zr  Zr156  1  0.939184  0.012577  0.698520  1
  Zr  Zr157  1  0.063022  0.470125  0.712075  1
  Zr  Zr158  1  0.563022  0.470125  0.712075  1
  Zr  Zr159  1  0.080942  0.850747  0.695658  1
  Zr  Zr160  1  0.092871  0.228152  0.676050  1
  Zr  Zr161  1  0.580942  0.850747  0.695658  1
  Zr  Zr162  1  0.592871  0.228152  0.676050  1
  Zr  Zr163  1  0.202256  0.384905  0.677350  1
  Zr  Zr164  1  0.702256  0.384905  0.677350  1
  Zr  Zr165  1  0.218566  0.760619  0.658911  1
  Zr  Zr166  1  0.189184  0.012577  0.698520  1
  Zr  Zr167  1  0.718566  0.760619  0.658911  1
  Zr  Zr168  1  0.689184  0.012577  0.698520  1
  Ni  Ni169  1  0.749682  0.324609  0.296614  1
  Ni  Ni170  1  0.249682  0.324609  0.296614  1
  Ni  Ni171  1  0.721739  0.574800  0.340001  1
  Ni  Ni172  1  0.735641  0.946569  0.316614  1
  Ni  Ni173  1  0.221739  0.574800  0.340001  1
  Ni  Ni174  1  0.235641  0.946569  0.316614  1
  Ni  Ni175  1  0.584869  0.173996  0.286796  1
  Ni  Ni176  1  0.084869  0.173996  0.286796  1
  Ni  Ni177  1  0.558151  0.428470  0.327351  1
  Ni  Ni178  1  0.573480  0.800698  0.306593  1
  Ni  Ni179  1  0.058151  0.428470  0.327351  1
  Ni  Ni180  1  0.073480  0.800698  0.306593  1
  Ni  Ni181  1  0.499682  0.324609  0.296614  1
  Ni  Ni182  1  0.999682  0.324609  0.296614  1
  Ni  Ni183  1  0.471739  0.574800  0.340001  1
  Ni  Ni184  1  0.485641  0.946569  0.316614  1
  Ni  Ni185  1  0.971739  0.574800  0.340001  1
  Ni  Ni186  1  0.985641  0.946569  0.316614  1
  Ni  Ni187  1  0.334869  0.173996  0.286796  1
  Ni  Ni188  1  0.834869  0.173996  0.286796  1
  Ni  Ni189  1  0.308151  0.428470  0.327351  1
  Ni  Ni190  1  0.323480  0.800698  0.306593  1
  Ni  Ni191  1  0.808151  0.428470  0.327351  1
  Ni  Ni192  1  0.823480  0.800698  0.306593  1
  Ni  Ni193  1  0.706116  0.200190  0.359147  1
  Ni  Ni194  1  0.206116  0.200190  0.359147  1
  Ni  Ni195  1  0.677224  0.447378  0.401476  1
  Ni  Ni196  1  0.692056  0.823638  0.380312  1
  Ni  Ni197  1  0.177224  0.447378  0.401476  1
  Ni  Ni198  1  0.192056  0.823638  0.380312  1
  Ni  Ni199  1  0.543257  0.055475  0.347295  1
  Ni  Ni200  1  0.043257  0.055475  0.347295  1
  Ni  Ni201  1  0.514183  0.302984  0.390346  1
  Ni  Ni202  1  0.529352  0.680588  0.369982  1
  Ni  Ni203  1  0.014183  0.302984  0.390346  1
  Ni  Ni204  1  0.029352  0.680588  0.369982  1
  Ni  Ni205  1  0.456116  0.200190  0.359147  1
  Ni  Ni206  1  0.956116  0.200190  0.359147  1
  Ni  Ni207  1  0.427224  0.447378  0.401476  1
  Ni  Ni208  1  0.442056  0.823638  0.380312  1
  Ni  Ni209  1  0.927224  0.447378  0.401476  1
  Ni  Ni210  1  0.942056  0.823638  0.380312  1
  Ni  Ni211  1  0.293257  0.055475  0.347295  1
  Ni  Ni212  1  0.793257  0.055475  0.347295  1
  Ni  Ni213  1  0.264183  0.302984  0.390346  1
  Ni  Ni214  1  0.279352  0.680588  0.369982  1
  Ni  Ni215  1  0.764183  0.302984  0.390346  1
  Ni  Ni216  1  0.779352  0.680588  0.369982  1
  Ni  Ni217  1  0.662786  0.071446  0.421985  1
  Ni  Ni218  1  0.162786  0.071446  0.421985  1
  Ni  Ni219  1  0.633507  0.320852  0.463796  1
  Ni  Ni220  1  0.648114  0.696841  0.443535  1
  Ni  Ni221  1  0.133507  0.320852  0.463796  1
  Ni  Ni222  1  0.148114  0.696841  0.443535  1
  Ni  Ni223  1  0.499822  0.926764  0.411380  1
  Ni  Ni224  1  0.999822  0.926764  0.411380  1
  Ni  Ni225  1  0.470538  0.176116  0.452709  1
  Ni  Ni226  1  0.485211  0.551741  0.432355  1
  Ni  Ni227  1  0.970538  0.176116  0.452709  1
  Ni  Ni228  1  0.985211  0.551741  0.432355  1
  Ni  Ni229  1  0.412786  0.071446  0.421985  1
  Ni  Ni230  1  0.912786  0.071446  0.421985  1
  Ni  Ni231  1  0.383507  0.320852  0.463796  1
  Ni  Ni232  1  0.398114  0.696841  0.443535  1
  Ni  Ni233  1  0.883507  0.320852  0.463796  1
  Ni  Ni234  1  0.898114  0.696841  0.443535  1
  Ni  Ni235  1  0.249822  0.926764  0.411380  1
  Ni  Ni236  1  0.749822  0.926764  0.411380  1
  Ni  Ni237  1  0.220538  0.176116  0.452709  1
  Ni  Ni238  1  0.235211  0.551741  0.432355  1
  Ni  Ni239  1  0.720538  0.176116  0.452709  1
  Ni  Ni240  1  0.735211  0.551741  0.432355  1
  Ni  Ni241  1  0.618691  0.945797  0.484941  1
  Ni  Ni242  1  0.118691  0.945797  0.484941  1
  Ni  Ni243  1  0.589458  0.193899  0.526522  1
  Ni  Ni244  1  0.604073  0.570162  0.505954  1
  Ni  Ni245  1  0.089458  0.193899  0.526522  1
  Ni  Ni246  1  0.104073  0.570162  0.505954  1
  Ni  Ni247  1  0.455734  0.801598  0.474228  1
  Ni  Ni248  1  0.955734  0.801598  0.474228  1
  Ni  Ni249  1  0.426501  0.049700  0.515809  1
  Ni  Ni250  1  0.441119  0.425335  0.494796  1
  Ni  Ni251  1  0.926501  0.049700  0.515809  1
  Ni  Ni252  1  0.941119  0.425335  0.494796  1
  Ni  Ni253  1  0.368691  0.945797  0.484941  1
  Ni  Ni254  1  0.868691  0.945797  0.484941  1
  Ni  Ni255  1  0.339458  0.193899  0.526522  1
  Ni  Ni256  1  0.354073  0.570162  0.505954  1
  Ni  Ni257  1  0.839458  0.193899  0.526522  1
  Ni  Ni258  1  0.854073  0.570162  0.505954  1
  Ni  Ni259  1  0.205734  0.801598  0.474228  1
  Ni  Ni260  1  0.705734  0.801598  0.474228  1
  Ni  Ni261  1  0.176501  0.049700  0.515809  1
  Ni  Ni262  1  0.191119  0.425335  0.494796  1
  Ni  Ni263  1  0.676501  0.049700  0.515809  1
  Ni  Ni264  1  0.691119  0.425335  0.494796  1
  Ni  Ni265  1  0.574654  0.819382  0.548041  1
  Ni  Ni266  1  0.074654  0.819382  0.548041  1
  Ni  Ni267  1  0.545369  0.068734  0.589369  1
  Ni  Ni268  1  0.559980  0.443757  0.568395  1
  Ni  Ni269  1  0.045369  0.068734  0.589369  1
  Ni  Ni270  1  0.059980  0.443757  0.568395  1
  Ni  Ni271  1  0.411685  0.674645  0.536954  1
  Ni  Ni272  1  0.911685  0.674645  0.536954  1
  Ni  Ni273  1  0.382405  0.924051  0.578765  1
  Ni  Ni274  1  0.397078  0.298657  0.557214  1
  Ni  Ni275  1  0.882405  0.924051  0.578765  1
  Ni  Ni276  1  0.897078  0.298657  0.557214  1
  Ni  Ni277  1  0.324654  0.819382  0.548041  1
  Ni  Ni278  1  0.824654  0.819382  0.548041  1
  Ni  Ni279  1  0.295369  0.068734  0.589369  1
  Ni  Ni280  1  0.309980  0.443757  0.568395  1
  Ni  Ni281  1  0.795369  0.068734  0.589369  1
  Ni  Ni282  1  0.809980  0.443757  0.568395  1
  Ni  Ni283  1  0.161685  0.674645  0.536954  1
  Ni  Ni284  1  0.661685  0.674645  0.536954  1
  Ni  Ni285  1  0.132405  0.924051  0.578765  1
  Ni  Ni286  1  0.147078  0.298657  0.557214  1
  Ni  Ni287  1  0.632405  0.924051  0.578765  1
  Ni  Ni288  1  0.647078  0.298657  0.557214  1
  Ni  Ni289  1  0.531009  0.692513  0.610403  1
  Ni  Ni290  1  0.031009  0.692513  0.610403  1
  Ni  Ni291  1  0.501935  0.940023  0.653455  1
  Ni  Ni292  1  0.515840  0.314909  0.630767  1
  Ni  Ni293  1  0.001935  0.940023  0.653455  1
  Ni  Ni294  1  0.015840  0.314909  0.630767  1
  Ni  Ni295  1  0.367967  0.548120  0.599274  1
  Ni  Ni296  1  0.867967  0.548120  0.599274  1
  Ni  Ni297  1  0.339075  0.795307  0.641603  1
  Ni  Ni298  1  0.353135  0.171860  0.620438  1
  Ni  Ni299  1  0.839075  0.795307  0.641603  1
  Ni  Ni300  1  0.853135  0.171860  0.620438  1
  Ni  Ni301  1  0.281009  0.692513  0.610403  1
  Ni  Ni302  1  0.781009  0.692513  0.610403  1
  Ni  Ni303  1  0.251935  0.940023  0.653455  1
  Ni  Ni304  1  0.265840  0.314909  0.630767  1
  Ni  Ni305  1  0.751935  0.940023  0.653455  1
  Ni  Ni306  1  0.765840  0.314909  0.630767  1
  Ni  Ni307  1  0.117967  0.548120  0.599274  1
  Ni  Ni308  1  0.617967  0.548120  0.599274  1
  Ni  Ni309  1  0.089075  0.795307  0.641603  1
  Ni  Ni310  1  0.103135  0.171860  0.620438  1
  Ni  Ni311  1  0.589075  0.795307  0.641603  1
  Ni  Ni312  1  0.603135  0.171860  0.620438  1
  Ni  Ni313  1  0.487040  0.567027  0.673399  1
  Ni  Ni314  1  0.987040  0.567027  0.673399  1
  Ni  Ni315  1  0.460322  0.821501  0.713953  1
  Ni  Ni316  1  0.471712  0.194799  0.694157  1
  Ni  Ni317  1  0.960322  0.821501  0.713953  1
  Ni  Ni318  1  0.971712  0.194799  0.694157  1
  Ni  Ni319  1  0.323453  0.420697  0.660748  1
  Ni  Ni320  1  0.823453  0.420697  0.660748  1
  Ni  Ni321  1  0.295509  0.670888  0.704136  1
  Ni  Ni322  1  0.309551  0.048928  0.684136  1
  Ni  Ni323  1  0.795509  0.670888  0.704136  1
  Ni  Ni324  1  0.809551  0.048928  0.684136  1
  Ni  Ni325  1  0.237040  0.567027  0.673399  1
  Ni  Ni326  1  0.737040  0.567027  0.673399  1
  Ni  Ni327  1  0.210322  0.821501  0.713953  1
  Ni  Ni328  1  0.221712  0.194799  0.694157  1
  Ni  Ni329  1  0.710322  0.821501  0.713953  1
  Ni  Ni330  1  0.721712  0.194799  0.694157  1
  Ni  Ni331  1  0.073453  0.420697  0.660748  1
  Ni  Ni332  1  0.573453  0.420697  0.660748  1
  Ni  Ni333  1  0.045509  0.670888  0.704136  1
  Ni  Ni334  1  0.059551  0.048928  0.684136  1
  Ni  Ni335  1  0.545509  0.670888  0.704136  1
  Ni  Ni336  1  0.559551  0.048928  0.684136  1
