# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.36872821
_cell_length_b   13.22627833
_cell_length_c   48.03099258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.05177375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr168 Ni168'
_cell_volume   13085.5796549
_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  0.606992  0.268875  0.287795  1
  Zr  Zr2  1  0.573791  0.070939  0.326076  1
  Zr  Zr3  1  0.089900  0.167691  0.307141  1
  Zr  Zr4  1  0.589900  0.667691  0.307141  1
  Zr  Zr5  1  0.106992  0.768875  0.287795  1
  Zr  Zr6  1  0.073791  0.570939  0.326076  1
  Zr  Zr7  1  0.700021  0.403048  0.310248  1
  Zr  Zr8  1  0.715186  0.003036  0.291790  1
  Zr  Zr9  1  0.183679  0.305727  0.329533  1
  Zr  Zr10  1  0.683679  0.805727  0.329533  1
  Zr  Zr11  1  0.200021  0.903048  0.310248  1
  Zr  Zr12  1  0.215186  0.503036  0.291790  1
  Zr  Zr13  1  0.348552  0.718682  0.297744  1
  Zr  Zr14  1  0.317773  0.521584  0.336538  1
  Zr  Zr15  1  0.830883  0.621235  0.316626  1
  Zr  Zr16  1  0.330883  0.121235  0.316626  1
  Zr  Zr17  1  0.848552  0.218682  0.297744  1
  Zr  Zr18  1  0.817773  0.021584  0.336538  1
  Zr  Zr19  1  0.459901  0.453597  0.300769  1
  Zr  Zr20  1  0.427479  0.254632  0.339342  1
  Zr  Zr21  1  0.941582  0.354610  0.320536  1
  Zr  Zr22  1  0.441582  0.854610  0.320536  1
  Zr  Zr23  1  0.959901  0.953597  0.300769  1
  Zr  Zr24  1  0.927479  0.754632  0.339342  1
  Zr  Zr25  1  0.560903  0.469747  0.346202  1
  Zr  Zr26  1  0.530365  0.269177  0.388246  1
  Zr  Zr27  1  0.045042  0.370658  0.366897  1
  Zr  Zr28  1  0.545042  0.870658  0.366897  1
  Zr  Zr29  1  0.060903  0.969747  0.346202  1
  Zr  Zr30  1  0.030365  0.769177  0.388246  1
  Zr  Zr31  1  0.655593  0.602160  0.370391  1
  Zr  Zr32  1  0.671422  0.200824  0.349519  1
  Zr  Zr33  1  0.138970  0.502924  0.391927  1
  Zr  Zr34  1  0.638970  0.002924  0.391927  1
  Zr  Zr35  1  0.155593  0.102160  0.370391  1
  Zr  Zr36  1  0.171422  0.700824  0.349519  1
  Zr  Zr37  1  0.302874  0.920072  0.356320  1
  Zr  Zr38  1  0.272470  0.719880  0.398554  1
  Zr  Zr39  1  0.788022  0.819481  0.377157  1
  Zr  Zr40  1  0.288022  0.319481  0.377157  1
  Zr  Zr41  1  0.802874  0.420072  0.356320  1
  Zr  Zr42  1  0.772470  0.219880  0.398554  1
  Zr  Zr43  1  0.413628  0.652080  0.360189  1
  Zr  Zr44  1  0.381464  0.453288  0.402461  1
  Zr  Zr45  1  0.897540  0.552366  0.380706  1
  Zr  Zr46  1  0.397540  0.052366  0.380706  1
  Zr  Zr47  1  0.913628  0.152080  0.360189  1
  Zr  Zr48  1  0.881464  0.953288  0.402461  1
  Zr  Zr49  1  0.514648  0.670644  0.409058  1
  Zr  Zr50  1  0.483247  0.472172  0.451142  1
  Zr  Zr51  1  0.998602  0.571511  0.429795  1
  Zr  Zr52  1  0.498602  0.071511  0.429795  1
  Zr  Zr53  1  0.014648  0.170644  0.409058  1
  Zr  Zr54  1  0.983247  0.972172  0.451142  1
  Zr  Zr55  1  0.608148  0.804422  0.433589  1
  Zr  Zr56  1  0.623724  0.403841  0.412904  1
  Zr  Zr57  1  0.092771  0.704842  0.454542  1
  Zr  Zr58  1  0.592771  0.204842  0.454542  1
  Zr  Zr59  1  0.108148  0.304422  0.433589  1
  Zr  Zr60  1  0.123724  0.903841  0.412904  1
  Zr  Zr61  1  0.256776  0.120999  0.419244  1
  Zr  Zr62  1  0.225513  0.922574  0.461468  1
  Zr  Zr63  1  0.740934  0.021894  0.440666  1
  Zr  Zr64  1  0.240934  0.521894  0.440666  1
  Zr  Zr65  1  0.756776  0.620999  0.419244  1
  Zr  Zr66  1  0.725513  0.422574  0.461468  1
  Zr  Zr67  1  0.365907  0.854191  0.423151  1
  Zr  Zr68  1  0.335049  0.655331  0.465035  1
  Zr  Zr69  1  0.850511  0.754568  0.443893  1
  Zr  Zr70  1  0.350511  0.254568  0.443893  1
  Zr  Zr71  1  0.865907  0.354191  0.423151  1
  Zr  Zr72  1  0.835049  0.155331  0.465035  1
  Zr  Zr73  1  0.467682  0.872779  0.471821  1
  Zr  Zr74  1  0.436758  0.673835  0.513664  1
  Zr  Zr75  1  0.952211  0.773243  0.492575  1
  Zr  Zr76  1  0.452211  0.273243  0.492575  1
  Zr  Zr77  1  0.967682  0.372779  0.471821  1
  Zr  Zr78  1  0.936758  0.173835  0.513664  1
  Zr  Zr79  1  0.561691  0.006203  0.496228  1
  Zr  Zr80  1  0.577290  0.605590  0.475423  1
  Zr  Zr81  1  0.046237  0.906813  0.517276  1
  Zr  Zr82  1  0.546237  0.406813  0.517276  1
  Zr  Zr83  1  0.061691  0.506203  0.496228  1
  Zr  Zr84  1  0.077290  0.105590  0.475423  1
  Zr  Zr85  1  0.210015  0.322980  0.482123  1
  Zr  Zr86  1  0.178962  0.124204  0.523975  1
  Zr  Zr87  1  0.694562  0.223590  0.503171  1
  Zr  Zr88  1  0.194562  0.723590  0.503171  1
  Zr  Zr89  1  0.710015  0.822980  0.482123  1
  Zr  Zr90  1  0.678962  0.624204  0.523975  1
  Zr  Zr91  1  0.319494  0.055959  0.485734  1
  Zr  Zr92  1  0.288571  0.857014  0.527578  1
  Zr  Zr93  1  0.804041  0.956550  0.506823  1
  Zr  Zr94  1  0.304041  0.456550  0.506823  1
  Zr  Zr95  1  0.819494  0.555959  0.485734  1
  Zr  Zr96  1  0.788571  0.357014  0.527578  1
  Zr  Zr97  1  0.421203  0.074462  0.534364  1
  Zr  Zr98  1  0.390346  0.875602  0.576248  1
  Zr  Zr99  1  0.905742  0.975225  0.555506  1
  Zr  Zr100  1  0.405742  0.475225  0.555506  1
  Zr  Zr101  1  0.921203  0.574462  0.534364  1
  Zr  Zr102  1  0.890346  0.375602  0.576248  1
  Zr  Zr103  1  0.515318  0.207899  0.558732  1
  Zr  Zr104  1  0.530739  0.807219  0.537931  1
  Zr  Zr105  1  0.999476  0.108794  0.580154  1
  Zr  Zr106  1  0.499476  0.608794  0.580154  1
  Zr  Zr107  1  0.015318  0.707899  0.558732  1
  Zr  Zr108  1  0.030739  0.307219  0.537931  1
  Zr  Zr109  1  0.163481  0.524951  0.544856  1
  Zr  Zr110  1  0.132529  0.325953  0.586494  1
  Zr  Zr111  1  0.648104  0.425371  0.565809  1
  Zr  Zr112  1  0.148104  0.925371  0.565809  1
  Zr  Zr113  1  0.663481  0.024951  0.544856  1
  Zr  Zr114  1  0.632529  0.825953  0.586494  1
  Zr  Zr115  1  0.273005  0.257621  0.548256  1
  Zr  Zr116  1  0.241604  0.059150  0.590340  1
  Zr  Zr117  1  0.757650  0.158283  0.569603  1
  Zr  Zr118  1  0.257650  0.658283  0.569603  1
  Zr  Zr119  1  0.773005  0.757621  0.548256  1
  Zr  Zr120  1  0.741604  0.559150  0.590340  1
  Zr  Zr121  1  0.374789  0.276505  0.596937  1
  Zr  Zr122  1  0.342625  0.077713  0.639210  1
  Zr  Zr123  1  0.858713  0.177428  0.618692  1
  Zr  Zr124  1  0.358713  0.677428  0.618692  1
  Zr  Zr125  1  0.874789  0.776505  0.596937  1
  Zr  Zr126  1  0.842625  0.577713  0.639210  1
  Zr  Zr127  1  0.468231  0.410313  0.622241  1
  Zr  Zr128  1  0.483783  0.009913  0.600844  1
  Zr  Zr129  1  0.953378  0.309721  0.643078  1
  Zr  Zr130  1  0.453378  0.809721  0.643078  1
  Zr  Zr131  1  0.968231  0.910313  0.622241  1
  Zr  Zr132  1  0.983783  0.509913  0.600844  1
  Zr  Zr133  1  0.117282  0.726869  0.607471  1
  Zr  Zr134  1  0.084830  0.528970  0.649879  1
  Zr  Zr135  1  0.600659  0.627633  0.629008  1
  Zr  Zr136  1  0.100659  0.127633  0.629008  1
  Zr  Zr137  1  0.617282  0.226869  0.607471  1
  Zr  Zr138  1  0.584830  0.028970  0.649879  1
  Zr  Zr139  1  0.225888  0.460616  0.611152  1
  Zr  Zr140  1  0.195349  0.260047  0.653197  1
  Zr  Zr141  1  0.711210  0.359135  0.632501  1
  Zr  Zr142  1  0.211210  0.859135  0.632501  1
  Zr  Zr143  1  0.725888  0.960616  0.611152  1
  Zr  Zr144  1  0.695349  0.760047  0.653197  1
  Zr  Zr145  1  0.328773  0.475161  0.660056  1
  Zr  Zr146  1  0.296351  0.276196  0.698629  1
  Zr  Zr147  1  0.814670  0.375184  0.678863  1
  Zr  Zr148  1  0.314670  0.875184  0.678863  1
  Zr  Zr149  1  0.828773  0.975161  0.660056  1
  Zr  Zr150  1  0.796351  0.776196  0.698629  1
  Zr  Zr151  1  0.425369  0.608558  0.682772  1
  Zr  Zr152  1  0.438479  0.208209  0.662860  1
  Zr  Zr153  1  0.907701  0.511111  0.701654  1
  Zr  Zr154  1  0.407701  0.011111  0.701654  1
  Zr  Zr155  1  0.925369  0.108558  0.682772  1
  Zr  Zr156  1  0.938479  0.708209  0.662860  1
  Zr  Zr157  1  0.072573  0.924066  0.669866  1
  Zr  Zr158  1  0.041066  0.726757  0.707608  1
  Zr  Zr159  1  0.556232  0.826745  0.689151  1
  Zr  Zr160  1  0.056232  0.326745  0.689151  1
  Zr  Zr161  1  0.572573  0.424066  0.669866  1
  Zr  Zr162  1  0.541066  0.226757  0.707608  1
  Zr  Zr163  1  0.182461  0.658854  0.673322  1
  Zr  Zr164  1  0.149260  0.460919  0.711603  1
  Zr  Zr165  1  0.666352  0.562102  0.692257  1
  Zr  Zr166  1  0.166352  0.062102  0.692257  1
  Zr  Zr167  1  0.682461  0.158854  0.673322  1
  Zr  Zr168  1  0.649260  0.960919  0.711603  1
  Ni  Ni169  1  0.737156  0.183292  0.300540  1
  Ni  Ni170  1  0.749279  0.782201  0.281945  1
  Ni  Ni171  1  0.219623  0.088116  0.320418  1
  Ni  Ni172  1  0.719623  0.588116  0.320418  1
  Ni  Ni173  1  0.237156  0.683292  0.300540  1
  Ni  Ni174  1  0.249279  0.282201  0.281945  1
  Ni  Ni175  1  0.573039  0.484784  0.290325  1
  Ni  Ni176  1  0.540785  0.286814  0.332649  1
  Ni  Ni177  1  0.055401  0.384538  0.311199  1
  Ni  Ni178  1  0.555401  0.884538  0.311199  1
  Ni  Ni179  1  0.073039  0.984784  0.290325  1
  Ni  Ni180  1  0.040785  0.786814  0.332649  1
  Ni  Ni181  1  0.477313  0.636782  0.310993  1
  Ni  Ni182  1  0.495707  0.231806  0.291002  1
  Ni  Ni183  1  0.960740  0.537953  0.331287  1
  Ni  Ni184  1  0.460740  0.037953  0.331287  1
  Ni  Ni185  1  0.977313  0.136782  0.310993  1
  Ni  Ni186  1  0.995707  0.731806  0.291002  1
  Ni  Ni187  1  0.283644  0.738202  0.342769  1
  Ni  Ni188  1  0.299563  0.336211  0.321675  1
  Ni  Ni189  1  0.814920  0.434880  0.300588  1
  Ni  Ni190  1  0.314920  0.934880  0.300588  1
  Ni  Ni191  1  0.783644  0.238202  0.342769  1
  Ni  Ni192  1  0.799563  0.836211  0.321675  1
  Ni  Ni193  1  0.688849  0.384420  0.364881  1
  Ni  Ni194  1  0.703704  0.983739  0.343854  1
  Ni  Ni195  1  0.173358  0.285128  0.385302  1
  Ni  Ni196  1  0.673358  0.785128  0.385302  1
  Ni  Ni197  1  0.188849  0.884420  0.364881  1
  Ni  Ni198  1  0.203704  0.483739  0.343854  1
  Ni  Ni199  1  0.525942  0.689077  0.352919  1
  Ni  Ni200  1  0.495784  0.487204  0.395568  1
  Ni  Ni201  1  0.010103  0.587772  0.373566  1
  Ni  Ni202  1  0.510103  0.087772  0.373566  1
  Ni  Ni203  1  0.025942  0.189077  0.352919  1
  Ni  Ni204  1  0.995784  0.987204  0.395568  1
  Ni  Ni205  1  0.431068  0.835193  0.375060  1
  Ni  Ni206  1  0.446183  0.434294  0.354503  1
  Ni  Ni207  1  0.915845  0.735894  0.395190  1
  Ni  Ni208  1  0.415845  0.235894  0.395190  1
  Ni  Ni209  1  0.931068  0.335193  0.375060  1
  Ni  Ni210  1  0.946183  0.934294  0.354503  1
  Ni  Ni211  1  0.237918  0.937788  0.405697  1
  Ni  Ni212  1  0.253410  0.536683  0.385052  1
  Ni  Ni213  1  0.767927  0.638134  0.363067  1
  Ni  Ni214  1  0.267927  0.138134  0.363067  1
  Ni  Ni215  1  0.737918  0.437788  0.405697  1
  Ni  Ni216  1  0.753410  0.036683  0.385052  1
  Ni  Ni217  1  0.642776  0.586718  0.426671  1
  Ni  Ni218  1  0.658307  0.185918  0.405995  1
  Ni  Ni219  1  0.127002  0.487101  0.447718  1
  Ni  Ni220  1  0.627002  0.987101  0.447718  1
  Ni  Ni221  1  0.142776  0.086718  0.426671  1
  Ni  Ni222  1  0.158307  0.685918  0.405995  1
  Ni  Ni223  1  0.480052  0.888363  0.416020  1
  Ni  Ni224  1  0.449093  0.689993  0.457598  1
  Ni  Ni225  1  0.964493  0.789268  0.436653  1
  Ni  Ni226  1  0.464493  0.289268  0.436653  1
  Ni  Ni227  1  0.980052  0.388363  0.416020  1
  Ni  Ni228  1  0.949093  0.189993  0.457598  1
  Ni  Ni229  1  0.384780  0.036962  0.437031  1
  Ni  Ni230  1  0.400493  0.636288  0.416455  1
  Ni  Ni231  1  0.869287  0.937442  0.458271  1
  Ni  Ni232  1  0.369287  0.437442  0.458271  1
  Ni  Ni233  1  0.884780  0.536962  0.437031  1
  Ni  Ni234  1  0.900493  0.136288  0.416455  1
  Ni  Ni235  1  0.191335  0.140192  0.467931  1
  Ni  Ni236  1  0.206897  0.739723  0.447169  1
  Ni  Ni237  1  0.722431  0.838996  0.426173  1
  Ni  Ni238  1  0.222431  0.338996  0.426173  1
  Ni  Ni239  1  0.691335  0.640192  0.467931  1
  Ni  Ni240  1  0.706897  0.239723  0.447169  1
  Ni  Ni241  1  0.596081  0.788367  0.489437  1
  Ni  Ni242  1  0.611602  0.387676  0.468710  1
  Ni  Ni243  1  0.080542  0.689146  0.510356  1
  Ni  Ni244  1  0.580542  0.189146  0.510356  1
  Ni  Ni245  1  0.096081  0.288367  0.489437  1
  Ni  Ni246  1  0.111602  0.887676  0.468710  1
  Ni  Ni247  1  0.433457  0.090370  0.478378  1
  Ni  Ni248  1  0.402394  0.891707  0.520353  1
  Ni  Ni249  1  0.917919  0.991031  0.499604  1
  Ni  Ni250  1  0.417919  0.491031  0.499604  1
  Ni  Ni251  1  0.933457  0.590370  0.478378  1
  Ni  Ni252  1  0.902394  0.391707  0.520353  1
  Ni  Ni253  1  0.338334  0.238762  0.499794  1
  Ni  Ni254  1  0.353858  0.838086  0.479045  1
  Ni  Ni255  1  0.822796  0.139423  0.521020  1
  Ni  Ni256  1  0.322796  0.639423  0.521020  1
  Ni  Ni257  1  0.838334  0.738762  0.499794  1
  Ni  Ni258  1  0.853858  0.338086  0.479045  1
  Ni  Ni259  1  0.144651  0.342117  0.530688  1
  Ni  Ni260  1  0.160171  0.941426  0.509961  1
  Ni  Ni261  1  0.675710  0.040647  0.489042  1
  Ni  Ni262  1  0.175710  0.540647  0.489042  1
  Ni  Ni263  1  0.644651  0.842117  0.530688  1
  Ni  Ni264  1  0.660171  0.441426  0.509961  1
  Ni  Ni265  1  0.549356  0.990071  0.552229  1
  Ni  Ni266  1  0.564917  0.589601  0.531468  1
  Ni  Ni267  1  0.033822  0.890798  0.573225  1
  Ni  Ni268  1  0.533822  0.390798  0.573225  1
  Ni  Ni269  1  0.049356  0.490071  0.552229  1
  Ni  Ni270  1  0.064917  0.089601  0.531468  1
  Ni  Ni271  1  0.386966  0.292351  0.541127  1
  Ni  Ni272  1  0.355760  0.093505  0.582943  1
  Ni  Ni273  1  0.871472  0.192831  0.562368  1
  Ni  Ni274  1  0.371472  0.692831  0.562368  1
  Ni  Ni275  1  0.886966  0.792351  0.541127  1
  Ni  Ni276  1  0.855760  0.593505  0.582943  1
  Ni  Ni277  1  0.291760  0.440525  0.562746  1
  Ni  Ni278  1  0.307159  0.039800  0.541800  1
  Ni  Ni279  1  0.776200  0.341431  0.583378  1
  Ni  Ni280  1  0.276200  0.841431  0.583378  1
  Ni  Ni281  1  0.791760  0.940525  0.562746  1
  Ni  Ni282  1  0.807159  0.539800  0.541800  1
  Ni  Ni283  1  0.097945  0.543875  0.593403  1
  Ni  Ni284  1  0.113476  0.143075  0.572727  1
  Ni  Ni285  1  0.629250  0.242692  0.551680  1
  Ni  Ni286  1  0.129250  0.742692  0.551680  1
  Ni  Ni287  1  0.597945  0.043875  0.593403  1
  Ni  Ni288  1  0.613476  0.643075  0.572727  1
  Ni  Ni289  1  0.502842  0.193110  0.614346  1
  Ni  Ni290  1  0.518334  0.792005  0.593702  1
  Ni  Ni291  1  0.988326  0.091659  0.636331  1
  Ni  Ni292  1  0.488326  0.591659  0.636331  1
  Ni  Ni293  1  0.002842  0.693110  0.614346  1
  Ni  Ni294  1  0.018334  0.292005  0.593702  1
  Ni  Ni295  1  0.340408  0.493899  0.604208  1
  Ni  Ni296  1  0.310069  0.295499  0.644895  1
  Ni  Ni297  1  0.825184  0.394600  0.624338  1
  Ni  Ni298  1  0.325184  0.894600  0.624338  1
  Ni  Ni299  1  0.840408  0.993899  0.604208  1
  Ni  Ni300  1  0.810069  0.795499  0.644895  1
  Ni  Ni301  1  0.246149  0.642021  0.625833  1
  Ni  Ni302  1  0.260468  0.242589  0.603830  1
  Ni  Ni303  1  0.730311  0.540716  0.646479  1
  Ni  Ni304  1  0.230311  0.040716  0.646479  1
  Ni  Ni305  1  0.746149  0.142021  0.625833  1
  Ni  Ni306  1  0.760468  0.742589  0.603830  1
  Ni  Ni307  1  0.052548  0.746054  0.655544  1
  Ni  Ni308  1  0.067403  0.345373  0.634517  1
  Ni  Ni309  1  0.582894  0.444665  0.614096  1
  Ni  Ni310  1  0.082894  0.944665  0.614096  1
  Ni  Ni311  1  0.552548  0.246054  0.655544  1
  Ni  Ni312  1  0.567403  0.845373  0.634517  1
  Ni  Ni313  1  0.456689  0.393582  0.677724  1
  Ni  Ni314  1  0.472609  0.991591  0.656629  1
  Ni  Ni315  1  0.941332  0.294913  0.698811  1
  Ni  Ni316  1  0.441332  0.794913  0.698811  1
  Ni  Ni317  1  0.956689  0.893582  0.677724  1
  Ni  Ni318  1  0.972609  0.491591  0.656629  1
  Ni  Ni319  1  0.295513  0.691841  0.668111  1
  Ni  Ni320  1  0.260546  0.497987  0.708396  1
  Ni  Ni321  1  0.778940  0.593011  0.688405  1
  Ni  Ni322  1  0.278940  0.093011  0.688405  1
  Ni  Ni323  1  0.795513  0.191841  0.668111  1
  Ni  Ni324  1  0.760546  0.997987  0.708396  1
  Ni  Ni325  1  0.200851  0.845255  0.688199  1
  Ni  Ni326  1  0.215468  0.442979  0.666749  1
  Ni  Ni327  1  0.683213  0.745009  0.709073  1
  Ni  Ni328  1  0.183213  0.245009  0.709073  1
  Ni  Ni329  1  0.700851  0.345255  0.688199  1
  Ni  Ni330  1  0.715468  0.942979  0.666749  1
  Ni  Ni331  1  0.006973  0.947592  0.717454  1
  Ni  Ni332  1  0.019097  0.546501  0.698859  1
  Ni  Ni333  1  0.536630  0.641677  0.678980  1
  Ni  Ni334  1  0.036630  0.141677  0.678980  1
  Ni  Ni335  1  0.506973  0.447592  0.717454  1
  Ni  Ni336  1  0.519097  0.046501  0.698859  1
