# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.76607932
_cell_length_b   12.72265857
_cell_length_c   48.38394037
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.22933853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr168 Ni168'
_cell_volume   12685.9809684
_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  0.598423  0.698860  0.295621  1
  Zr  Zr2  1  0.568606  0.531224  0.335380  1
  Zr  Zr3  1  0.089222  0.618612  0.312111  1
  Zr  Zr4  1  0.589222  0.118612  0.312111  1
  Zr  Zr5  1  0.098423  0.198860  0.295621  1
  Zr  Zr6  1  0.068606  0.031224  0.335380  1
  Zr  Zr7  1  0.710244  0.436751  0.297968  1
  Zr  Zr8  1  0.673282  0.271100  0.340372  1
  Zr  Zr9  1  0.191735  0.354414  0.318231  1
  Zr  Zr10  1  0.691735  0.854414  0.318231  1
  Zr  Zr11  1  0.210244  0.936751  0.297968  1
  Zr  Zr12  1  0.173282  0.771100  0.340372  1
  Zr  Zr13  1  0.355358  0.740113  0.285513  1
  Zr  Zr14  1  0.326698  0.573469  0.325253  1
  Zr  Zr15  1  0.845150  0.657736  0.303290  1
  Zr  Zr16  1  0.345150  0.157736  0.303290  1
  Zr  Zr17  1  0.855358  0.240113  0.285513  1
  Zr  Zr18  1  0.826698  0.073469  0.325253  1
  Zr  Zr19  1  0.451319  0.895117  0.308582  1
  Zr  Zr20  1  0.469320  0.475170  0.288905  1
  Zr  Zr21  1  0.927982  0.814812  0.330798  1
  Zr  Zr22  1  0.427982  0.314812  0.330798  1
  Zr  Zr23  1  0.951319  0.395117  0.308582  1
  Zr  Zr24  1  0.969320  0.975170  0.288905  1
  Zr  Zr25  1  0.551722  0.951321  0.356585  1
  Zr  Zr26  1  0.522734  0.779518  0.398353  1
  Zr  Zr27  1  0.035477  0.867803  0.377778  1
  Zr  Zr28  1  0.535477  0.367803  0.377778  1
  Zr  Zr29  1  0.051722  0.451321  0.356585  1
  Zr  Zr30  1  0.022734  0.279518  0.398353  1
  Zr  Zr31  1  0.663165  0.684728  0.359440  1
  Zr  Zr32  1  0.629068  0.517143  0.402119  1
  Zr  Zr33  1  0.146234  0.599467  0.380093  1
  Zr  Zr34  1  0.646234  0.099467  0.380093  1
  Zr  Zr35  1  0.163165  0.184728  0.359440  1
  Zr  Zr36  1  0.129068  0.017143  0.402119  1
  Zr  Zr37  1  0.310015  0.992237  0.347157  1
  Zr  Zr38  1  0.278898  0.822638  0.388044  1
  Zr  Zr39  1  0.792518  0.910138  0.367879  1
  Zr  Zr40  1  0.292518  0.410138  0.367879  1
  Zr  Zr41  1  0.810015  0.492237  0.347157  1
  Zr  Zr42  1  0.778898  0.322638  0.388044  1
  Zr  Zr43  1  0.406549  0.139275  0.369772  1
  Zr  Zr44  1  0.417337  0.728641  0.349210  1
  Zr  Zr45  1  0.887972  0.058517  0.391862  1
  Zr  Zr46  1  0.387972  0.558517  0.391862  1
  Zr  Zr47  1  0.906549  0.639275  0.369772  1
  Zr  Zr48  1  0.917337  0.228641  0.349210  1
  Zr  Zr49  1  0.506839  0.195625  0.418575  1
  Zr  Zr50  1  0.473773  0.031900  0.461394  1
  Zr  Zr51  1  0.989229  0.114460  0.440140  1
  Zr  Zr52  1  0.489229  0.614460  0.440140  1
  Zr  Zr53  1  0.006839  0.695625  0.418575  1
  Zr  Zr54  1  0.973773  0.531900  0.461394  1
  Zr  Zr55  1  0.613968  0.933150  0.423139  1
  Zr  Zr56  1  0.583834  0.766351  0.464541  1
  Zr  Zr57  1  0.098944  0.849461  0.443915  1
  Zr  Zr58  1  0.598944  0.349461  0.443915  1
  Zr  Zr59  1  0.113968  0.433150  0.423139  1
  Zr  Zr60  1  0.083834  0.266351  0.464541  1
  Zr  Zr61  1  0.264661  0.237467  0.408149  1
  Zr  Zr62  1  0.231394  0.073193  0.451135  1
  Zr  Zr63  1  0.747513  0.155385  0.429692  1
  Zr  Zr64  1  0.247513  0.655385  0.429692  1
  Zr  Zr65  1  0.764661  0.737467  0.408149  1
  Zr  Zr66  1  0.731394  0.573193  0.451135  1
  Zr  Zr67  1  0.355912  0.391169  0.433666  1
  Zr  Zr68  1  0.371140  0.975494  0.413192  1
  Zr  Zr69  1  0.841452  0.307302  0.454227  1
  Zr  Zr70  1  0.341452  0.807302  0.454227  1
  Zr  Zr71  1  0.855912  0.891169  0.433666  1
  Zr  Zr72  1  0.871140  0.475494  0.413192  1
  Zr  Zr73  1  0.459320  0.447138  0.481892  1
  Zr  Zr74  1  0.427175  0.280776  0.523968  1
  Zr  Zr75  1  0.943872  0.363389  0.502749  1
  Zr  Zr76  1  0.443872  0.863389  0.502749  1
  Zr  Zr77  1  0.959320  0.947138  0.481892  1
  Zr  Zr78  1  0.927175  0.780776  0.523968  1
  Zr  Zr79  1  0.567486  0.183274  0.485638  1
  Zr  Zr80  1  0.536839  0.015962  0.527530  1
  Zr  Zr81  1  0.051622  0.100066  0.506814  1
  Zr  Zr82  1  0.551622  0.600066  0.506814  1
  Zr  Zr83  1  0.067486  0.683274  0.485638  1
  Zr  Zr84  1  0.036839  0.515962  0.527530  1
  Zr  Zr85  1  0.216311  0.489371  0.471547  1
  Zr  Zr86  1  0.185664  0.322059  0.513439  1
  Zr  Zr87  1  0.701529  0.405267  0.492263  1
  Zr  Zr88  1  0.201529  0.905267  0.492263  1
  Zr  Zr89  1  0.716311  0.989371  0.471547  1
  Zr  Zr90  1  0.685664  0.822059  0.513439  1
  Zr  Zr91  1  0.309279  0.641944  0.496328  1
  Zr  Zr92  1  0.325975  0.224557  0.475108  1
  Zr  Zr93  1  0.793831  0.558195  0.517185  1
  Zr  Zr94  1  0.293831  0.058195  0.517185  1
  Zr  Zr95  1  0.809279  0.141944  0.496328  1
  Zr  Zr96  1  0.825975  0.724557  0.475108  1
  Zr  Zr97  1  0.411699  0.698031  0.544849  1
  Zr  Zr98  1  0.382011  0.529839  0.585884  1
  Zr  Zr99  1  0.897239  0.614164  0.565410  1
  Zr  Zr100  1  0.397239  0.114164  0.565410  1
  Zr  Zr101  1  0.911699  0.198031  0.544849  1
  Zr  Zr102  1  0.882011  0.029839  0.585884  1
  Zr  Zr103  1  0.521757  0.432141  0.547942  1
  Zr  Zr104  1  0.488490  0.267866  0.590927  1
  Zr  Zr105  1  0.005638  0.349948  0.569385  1
  Zr  Zr106  1  0.505638  0.849948  0.569385  1
  Zr  Zr107  1  0.021757  0.932141  0.547942  1
  Zr  Zr108  1  0.988490  0.767866  0.590927  1
  Zr  Zr109  1  0.169316  0.738982  0.534536  1
  Zr  Zr110  1  0.139182  0.572183  0.575938  1
  Zr  Zr111  1  0.654206  0.655873  0.555162  1
  Zr  Zr112  1  0.154206  0.155873  0.555162  1
  Zr  Zr113  1  0.669316  0.238982  0.534536  1
  Zr  Zr114  1  0.639182  0.072183  0.575938  1
  Zr  Zr115  1  0.263921  0.890873  0.558937  1
  Zr  Zr116  1  0.279378  0.473433  0.537682  1
  Zr  Zr117  1  0.746311  0.809708  0.580502  1
  Zr  Zr118  1  0.246311  0.309708  0.580502  1
  Zr  Zr119  1  0.763921  0.390873  0.558937  1
  Zr  Zr120  1  0.779378  0.973433  0.537682  1
  Zr  Zr121  1  0.365179  0.946816  0.607214  1
  Zr  Zr122  1  0.335813  0.776692  0.649866  1
  Zr  Zr123  1  0.846602  0.866058  0.629304  1
  Zr  Zr124  1  0.346602  0.366058  0.629304  1
  Zr  Zr125  1  0.865179  0.446816  0.607214  1
  Zr  Zr126  1  0.835813  0.276692  0.649866  1
  Zr  Zr127  1  0.474253  0.682695  0.611033  1
  Zr  Zr128  1  0.443135  0.513097  0.651920  1
  Zr  Zr129  1  0.960632  0.595195  0.631198  1
  Zr  Zr130  1  0.460632  0.095195  0.631198  1
  Zr  Zr131  1  0.974253  0.182695  0.611033  1
  Zr  Zr132  1  0.943135  0.013097  0.651920  1
  Zr  Zr133  1  0.124083  0.988190  0.596958  1
  Zr  Zr134  1  0.089986  0.820605  0.639637  1
  Zr  Zr135  1  0.606916  0.905866  0.618984  1
  Zr  Zr136  1  0.106916  0.405866  0.618984  1
  Zr  Zr137  1  0.624083  0.488190  0.596958  1
  Zr  Zr138  1  0.589986  0.320605  0.639637  1
  Zr  Zr139  1  0.217674  0.137530  0.621298  1
  Zr  Zr140  1  0.230417  0.725816  0.600724  1
  Zr  Zr141  1  0.701428  0.054012  0.642492  1
  Zr  Zr142  1  0.201428  0.554012  0.642492  1
  Zr  Zr143  1  0.717674  0.637530  0.621298  1
  Zr  Zr144  1  0.730417  0.225816  0.600724  1
  Zr  Zr145  1  0.325169  0.190521  0.668278  1
  Zr  Zr146  1  0.283831  0.030163  0.710172  1
  Zr  Zr147  1  0.801832  0.110216  0.690494  1
  Zr  Zr148  1  0.301832  0.610216  0.690494  1
  Zr  Zr149  1  0.825169  0.690521  0.668278  1
  Zr  Zr150  1  0.783831  0.530163  0.710172  1
  Zr  Zr151  1  0.426453  0.931864  0.673823  1
  Zr  Zr152  1  0.397793  0.765220  0.713563  1
  Zr  Zr153  1  0.908001  0.847597  0.695787  1
  Zr  Zr154  1  0.408001  0.347597  0.695787  1
  Zr  Zr155  1  0.926453  0.431864  0.673823  1
  Zr  Zr156  1  0.897793  0.265220  0.713563  1
  Zr  Zr157  1  0.079869  0.234233  0.658704  1
  Zr  Zr158  1  0.042907  0.068582  0.701108  1
  Zr  Zr159  1  0.561416  0.150919  0.680846  1
  Zr  Zr160  1  0.061416  0.650919  0.680846  1
  Zr  Zr161  1  0.579869  0.734233  0.658704  1
  Zr  Zr162  1  0.542907  0.568582  0.701108  1
  Zr  Zr163  1  0.163929  0.386721  0.686966  1
  Zr  Zr164  1  0.184545  0.974109  0.663696  1
  Zr  Zr165  1  0.654728  0.306473  0.703456  1
  Zr  Zr166  1  0.154728  0.806473  0.703456  1
  Zr  Zr167  1  0.663929  0.886721  0.686966  1
  Zr  Zr168  1  0.684545  0.474109  0.663696  1
  Ni  Ni169  1  0.727865  0.625985  0.311788  1
  Ni  Ni170  1  0.732942  0.201973  0.294130  1
  Ni  Ni171  1  0.212650  0.547912  0.330732  1
  Ni  Ni172  1  0.712650  0.047912  0.330732  1
  Ni  Ni173  1  0.227865  0.125985  0.311788  1
  Ni  Ni174  1  0.232942  0.701973  0.294130  1
  Ni  Ni175  1  0.534029  0.754301  0.342422  1
  Ni  Ni176  1  0.545218  0.329182  0.323351  1
  Ni  Ni177  1  0.066343  0.416995  0.303136  1
  Ni  Ni178  1  0.566343  0.916995  0.303136  1
  Ni  Ni179  1  0.034029  0.254301  0.342422  1
  Ni  Ni180  1  0.045218  0.829182  0.323351  1
  Ni  Ni181  1  0.480461  0.668145  0.302911  1
  Ni  Ni182  1  0.484380  0.244776  0.285697  1
  Ni  Ni183  1  0.972762  0.591339  0.319531  1
  Ni  Ni184  1  0.472762  0.091339  0.319531  1
  Ni  Ni185  1  0.980461  0.168145  0.302911  1
  Ni  Ni186  1  0.984380  0.744776  0.285697  1
  Ni  Ni187  1  0.325481  0.954540  0.294506  1
  Ni  Ni188  1  0.288785  0.795908  0.331822  1
  Ni  Ni189  1  0.805381  0.874346  0.313792  1
  Ni  Ni190  1  0.305381  0.374346  0.313792  1
  Ni  Ni191  1  0.825481  0.454540  0.294506  1
  Ni  Ni192  1  0.788785  0.295908  0.331822  1
  Ni  Ni193  1  0.679009  0.875369  0.374493  1
  Ni  Ni194  1  0.694441  0.462452  0.353215  1
  Ni  Ni195  1  0.163104  0.793045  0.395832  1
  Ni  Ni196  1  0.663104  0.293045  0.395832  1
  Ni  Ni197  1  0.179009  0.375369  0.374493  1
  Ni  Ni198  1  0.194441  0.962452  0.353215  1
  Ni  Ni199  1  0.486323  0.999121  0.406591  1
  Ni  Ni200  1  0.502534  0.590518  0.383596  1
  Ni  Ni201  1  0.022065  0.680106  0.359361  1
  Ni  Ni202  1  0.522065  0.180106  0.359361  1
  Ni  Ni203  1  0.986323  0.499121  0.406591  1
  Ni  Ni204  1  0.002534  0.090518  0.383596  1
  Ni  Ni205  1  0.437010  0.915847  0.364925  1
  Ni  Ni206  1  0.453099  0.506387  0.342229  1
  Ni  Ni207  1  0.920789  0.832771  0.385977  1
  Ni  Ni208  1  0.420789  0.332771  0.385977  1
  Ni  Ni209  1  0.937010  0.415847  0.364925  1
  Ni  Ni210  1  0.953099  0.006387  0.342229  1
  Ni  Ni211  1  0.280280  0.221439  0.349856  1
  Ni  Ni212  1  0.243639  0.042180  0.396096  1
  Ni  Ni213  1  0.760980  0.133388  0.372613  1
  Ni  Ni214  1  0.260980  0.633388  0.372613  1
  Ni  Ni215  1  0.780280  0.721439  0.349856  1
  Ni  Ni216  1  0.743639  0.542180  0.396096  1
  Ni  Ni217  1  0.632676  0.127553  0.436690  1
  Ni  Ni218  1  0.649388  0.711602  0.415698  1
  Ni  Ni219  1  0.116153  0.042922  0.458271  1
  Ni  Ni220  1  0.616153  0.542922  0.458271  1
  Ni  Ni221  1  0.132676  0.627553  0.436690  1
  Ni  Ni222  1  0.149388  0.211602  0.415698  1
  Ni  Ni223  1  0.441081  0.254507  0.467504  1
  Ni  Ni224  1  0.456806  0.838164  0.446704  1
  Ni  Ni225  1  0.971397  0.917929  0.426731  1
  Ni  Ni226  1  0.471397  0.417929  0.426731  1
  Ni  Ni227  1  0.941081  0.754507  0.467504  1
  Ni  Ni228  1  0.956806  0.338164  0.446704  1
  Ni  Ni229  1  0.391467  0.170652  0.425744  1
  Ni  Ni230  1  0.406454  0.754685  0.405278  1
  Ni  Ni231  1  0.874294  0.084175  0.447903  1
  Ni  Ni232  1  0.374294  0.584175  0.447903  1
  Ni  Ni233  1  0.891467  0.670652  0.425744  1
  Ni  Ni234  1  0.906454  0.254685  0.405278  1
  Ni  Ni235  1  0.228313  0.459884  0.416352  1
  Ni  Ni236  1  0.199277  0.296660  0.456991  1
  Ni  Ni237  1  0.714174  0.379818  0.436364  1
  Ni  Ni238  1  0.214174  0.879818  0.436364  1
  Ni  Ni239  1  0.728313  0.959884  0.416352  1
  Ni  Ni240  1  0.699277  0.796660  0.456991  1
  Ni  Ni241  1  0.586609  0.377599  0.499503  1
  Ni  Ni242  1  0.601324  0.959665  0.479081  1
  Ni  Ni243  1  0.070626  0.294059  0.520515  1
  Ni  Ni244  1  0.570626  0.794059  0.520515  1
  Ni  Ni245  1  0.086609  0.877599  0.499503  1
  Ni  Ni246  1  0.101324  0.459665  0.479081  1
  Ni  Ni247  1  0.394382  0.504701  0.530142  1
  Ni  Ni248  1  0.409113  0.085952  0.510029  1
  Ni  Ni249  1  0.924592  0.169076  0.489119  1
  Ni  Ni250  1  0.424592  0.669076  0.489119  1
  Ni  Ni251  1  0.894382  0.004701  0.530142  1
  Ni  Ni252  1  0.909113  0.585952  0.510029  1
  Ni  Ni253  1  0.344038  0.419381  0.489048  1
  Ni  Ni254  1  0.358769  1.000632  0.468934  1
  Ni  Ni255  1  0.828558  0.336257  0.509958  1
  Ni  Ni256  1  0.328558  0.836257  0.509958  1
  Ni  Ni257  1  0.844038  0.919381  0.489048  1
  Ni  Ni258  1  0.858769  0.500632  0.468934  1
  Ni  Ni259  1  0.182525  0.711274  0.478561  1
  Ni  Ni260  1  0.151827  0.545668  0.519996  1
  Ni  Ni261  1  0.666542  0.627735  0.499574  1
  Ni  Ni262  1  0.166542  0.127735  0.499574  1
  Ni  Ni263  1  0.682525  0.211274  0.478561  1
  Ni  Ni264  1  0.651827  0.045668  0.519996  1
  Ni  Ni265  1  0.538976  0.625515  0.562712  1
  Ni  Ni266  1  0.553874  0.208673  0.542085  1
  Ni  Ni267  1  0.024837  0.545449  0.582725  1
  Ni  Ni268  1  0.524837  0.045449  0.582725  1
  Ni  Ni269  1  0.038976  0.125515  0.562712  1
  Ni  Ni270  1  0.053874  0.708673  0.542085  1
  Ni  Ni271  1  0.346696  0.750648  0.593799  1
  Ni  Ni272  1  0.361684  0.334681  0.573332  1
  Ni  Ni273  1  0.878857  0.421158  0.551173  1
  Ni  Ni274  1  0.378857  0.921158  0.551173  1
  Ni  Ni275  1  0.846696  0.250648  0.593799  1
  Ni  Ni276  1  0.861684  0.834681  0.573332  1
  Ni  Ni277  1  0.296345  0.667169  0.552373  1
  Ni  Ni278  1  0.312069  0.250826  0.531572  1
  Ni  Ni279  1  0.781754  0.587404  0.572345  1
  Ni  Ni280  1  0.281754  0.087404  0.572345  1
  Ni  Ni281  1  0.796345  0.167169  0.552373  1
  Ni  Ni282  1  0.812069  0.750826  0.531572  1
  Ni  Ni283  1  0.136997  0.962411  0.540805  1
  Ni  Ni284  1  0.103763  0.793731  0.583379  1
  Ni  Ni285  1  0.620475  0.877780  0.562386  1
  Ni  Ni286  1  0.120475  0.377780  0.562386  1
  Ni  Ni287  1  0.636997  0.462411  0.540805  1
  Ni  Ni288  1  0.603763  0.293731  0.583379  1
  Ni  Ni289  1  0.492170  0.871945  0.626464  1
  Ni  Ni290  1  0.509511  0.463153  0.602981  1
  Ni  Ni291  1  0.972871  0.783894  0.649220  1
  Ni  Ni292  1  0.472871  0.283894  0.649220  1
  Ni  Ni293  1  0.992170  0.371945  0.626464  1
  Ni  Ni294  1  0.009511  0.963153  0.602981  1
  Ni  Ni295  1  0.300052  0.998946  0.656848  1
  Ni  Ni296  1  0.316140  0.589486  0.634151  1
  Ni  Ni297  1  0.832361  0.672562  0.613100  1
  Ni  Ni298  1  0.332361  0.172562  0.613100  1
  Ni  Ni299  1  0.800052  0.498946  0.656848  1
  Ni  Ni300  1  0.816140  0.089486  0.634151  1
  Ni  Ni301  1  0.250617  0.914815  0.615480  1
  Ni  Ni302  1  0.266827  0.506212  0.592486  1
  Ni  Ni303  1  0.731085  0.825227  0.639716  1
  Ni  Ni304  1  0.231085  0.325227  0.639716  1
  Ni  Ni305  1  0.750617  0.414815  0.615480  1
  Ni  Ni306  1  0.766827  0.006212  0.592486  1
  Ni  Ni307  1  0.090047  0.212289  0.603244  1
  Ni  Ni308  1  0.058710  0.042881  0.645861  1
  Ni  Ni309  1  0.574142  0.129964  0.624584  1
  Ni  Ni310  1  0.074142  0.629964  0.624584  1
  Ni  Ni311  1  0.590047  0.712289  0.603244  1
  Ni  Ni312  1  0.558710  0.542881  0.645861  1
  Ni  Ni313  1  0.447770  0.130987  0.685285  1
  Ni  Ni314  1  0.464366  0.709425  0.667255  1
  Ni  Ni315  1  0.927670  0.050793  0.704570  1
  Ni  Ni316  1  0.427670  0.550793  0.704570  1
  Ni  Ni317  1  0.947770  0.630987  0.685285  1
  Ni  Ni318  1  0.964366  0.209425  0.667255  1
  Ni  Ni319  1  0.268770  0.260557  0.713379  1
  Ni  Ni320  1  0.272690  0.837188  0.696165  1
  Ni  Ni321  1  0.780389  0.913995  0.679545  1
  Ni  Ni322  1  0.280389  0.413995  0.679545  1
  Ni  Ni323  1  0.768770  0.760557  0.713379  1
  Ni  Ni324  1  0.772690  0.337188  0.696165  1
  Ni  Ni325  1  0.207933  0.176151  0.675726  1
  Ni  Ni326  1  0.219121  0.751032  0.656654  1
  Ni  Ni327  1  0.686808  0.088338  0.695941  1
  Ni  Ni328  1  0.186808  0.588338  0.695941  1
  Ni  Ni329  1  0.707933  0.676151  0.675726  1
  Ni  Ni330  1  0.719121  0.251032  0.656654  1
  Ni  Ni331  1  0.040501  0.457421  0.668344  1
  Ni  Ni332  1  0.020208  0.303360  0.704947  1
  Ni  Ni333  1  0.525286  0.379348  0.687289  1
  Ni  Ni334  1  0.025286  0.879348  0.687289  1
  Ni  Ni335  1  0.540501  0.957421  0.668344  1
  Ni  Ni336  1  0.520208  0.803360  0.704947  1
