# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99575231
_cell_length_b   25.26667238
_cell_length_c   52.63484085
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr96 Ni192'
_cell_volume   9303.70191898
_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  0.258603  0.824288  0.307087  1
  Zr  Zr2  1  0.251837  0.441282  0.343311  1
  Zr  Zr3  1  0.252201  0.056400  0.380458  1
  Zr  Zr4  1  0.989070  0.729449  0.315107  1
  Zr  Zr5  1  1.001731  0.345248  0.352643  1
  Zr  Zr6  1  0.012646  0.118043  0.281361  1
  Zr  Zr7  1  0.752201  0.556400  0.380458  1
  Zr  Zr8  1  0.758603  0.324288  0.307087  1
  Zr  Zr9  1  0.751837  0.941282  0.343311  1
  Zr  Zr10  1  0.501731  0.845248  0.352643  1
  Zr  Zr11  1  0.512646  0.618043  0.281361  1
  Zr  Zr12  1  0.489070  0.229449  0.315107  1
  Zr  Zr13  1  0.751675  0.748851  0.362029  1
  Zr  Zr14  1  0.764535  0.518870  0.289127  1
  Zr  Zr15  1  0.751666  0.133644  0.325429  1
  Zr  Zr16  1  0.501679  0.652683  0.371257  1
  Zr  Zr17  1  0.492670  0.420621  0.298247  1
  Zr  Zr18  1  0.503103  0.037332  0.333985  1
  Zr  Zr19  1  0.251666  0.633644  0.325429  1
  Zr  Zr20  1  0.251675  0.248851  0.362029  1
  Zr  Zr21  1  0.264535  0.018870  0.289127  1
  Zr  Zr22  1  0.992670  0.920621  0.298247  1
  Zr  Zr23  1  0.003103  0.537332  0.333985  1
  Zr  Zr24  1  1.001679  0.152683  0.371257  1
  Zr  Zr25  1  0.251566  0.671841  0.417455  1
  Zr  Zr26  1  0.251633  0.287219  0.454564  1
  Zr  Zr27  1  0.251844  0.902593  0.491652  1
  Zr  Zr28  1  1.001559  0.575616  0.426752  1
  Zr  Zr29  1  1.001286  0.191040  0.463833  1
  Zr  Zr30  1  1.001700  0.960278  0.389641  1
  Zr  Zr31  1  0.751844  0.402593  0.491652  1
  Zr  Zr32  1  0.751566  0.171841  0.417455  1
  Zr  Zr33  1  0.751633  0.787219  0.454564  1
  Zr  Zr34  1  0.501286  0.691040  0.463833  1
  Zr  Zr35  1  0.501700  0.460278  0.389641  1
  Zr  Zr36  1  0.501559  0.075616  0.426752  1
  Zr  Zr37  1  0.751798  0.594876  0.473116  1
  Zr  Zr38  1  0.751752  0.364113  0.398915  1
  Zr  Zr39  1  0.751939  0.979497  0.435963  1
  Zr  Zr40  1  0.501383  0.498731  0.482380  1
  Zr  Zr41  1  0.501328  0.268039  0.408243  1
  Zr  Zr42  1  0.501333  0.883375  0.445257  1
  Zr  Zr43  1  0.251939  0.479497  0.435963  1
  Zr  Zr44  1  0.251798  0.094876  0.473116  1
  Zr  Zr45  1  0.251752  0.864113  0.398915  1
  Zr  Zr46  1  1.001328  0.768039  0.408243  1
  Zr  Zr47  1  1.001333  0.383375  0.445257  1
  Zr  Zr48  1  1.001383  0.998731  0.482380  1
  Zr  Zr49  1  0.251920  0.517943  0.528773  1
  Zr  Zr50  1  0.251697  0.133316  0.565845  1
  Zr  Zr51  1  0.251388  0.748688  0.602838  1
  Zr  Zr52  1  1.001456  0.421817  0.538027  1
  Zr  Zr53  1  1.001677  0.037146  0.575159  1
  Zr  Zr54  1  1.001342  0.806434  0.500921  1
  Zr  Zr55  1  0.751388  0.248688  0.602838  1
  Zr  Zr56  1  0.751920  0.017943  0.528773  1
  Zr  Zr57  1  0.751697  0.633316  0.565845  1
  Zr  Zr58  1  0.501677  0.537146  0.575159  1
  Zr  Zr59  1  0.501342  0.306434  0.500921  1
  Zr  Zr60  1  0.501456  0.921817  0.538027  1
  Zr  Zr61  1  0.751831  0.441008  0.584368  1
  Zr  Zr62  1  0.751734  0.210252  0.510191  1
  Zr  Zr63  1  0.751751  0.825677  0.547304  1
  Zr  Zr64  1  0.501618  0.344926  0.593620  1
  Zr  Zr65  1  0.501398  0.114079  0.519468  1
  Zr  Zr66  1  0.501286  0.729476  0.556560  1
  Zr  Zr67  1  0.251751  0.325677  0.547304  1
  Zr  Zr68  1  0.251831  0.941008  0.584368  1
  Zr  Zr69  1  0.251734  0.710252  0.510191  1
  Zr  Zr70  1  1.001398  0.614079  0.519468  1
  Zr  Zr71  1  1.001286  0.229476  0.556560  1
  Zr  Zr72  1  1.001618  0.844926  0.593620  1
  Zr  Zr73  1  0.251473  0.364036  0.639725  1
  Zr  Zr74  1  0.262511  0.980304  0.678561  1
  Zr  Zr75  1  0.252330  0.590735  0.711997  1
  Zr  Zr76  1  1.000997  0.267668  0.649095  1
  Zr  Zr77  1  0.992363  0.883125  0.686283  1
  Zr  Zr78  1  1.001247  0.652499  0.612158  1
  Zr  Zr79  1  0.752330  0.090735  0.711997  1
  Zr  Zr80  1  0.751473  0.864036  0.639725  1
  Zr  Zr81  1  0.762511  0.480304  0.678561  1
  Zr  Zr82  1  0.492363  0.383125  0.686283  1
  Zr  Zr83  1  0.501247  0.152499  0.612158  1
  Zr  Zr84  1  0.500997  0.767668  0.649095  1
  Zr  Zr85  1  0.757809  0.288384  0.694682  1
  Zr  Zr86  1  0.751340  0.056314  0.621347  1
  Zr  Zr87  1  0.750767  0.671643  0.658397  1
  Zr  Zr88  1  0.489706  0.192107  0.703567  1
  Zr  Zr89  1  0.500755  0.960203  0.630720  1
  Zr  Zr90  1  0.502792  0.575295  0.667646  1
  Zr  Zr91  1  0.250767  0.171643  0.658397  1
  Zr  Zr92  1  0.257809  0.788384  0.694682  1
  Zr  Zr93  1  0.251340  0.556314  0.621347  1
  Zr  Zr94  1  1.000755  0.460203  0.630720  1
  Zr  Zr95  1  0.002792  0.075295  0.667646  1
  Zr  Zr96  1  0.989706  0.692107  0.703567  1
  Ni  Ni97  1  0.878155  0.834924  0.329213  1
  Ni  Ni98  1  0.875800  0.450634  0.366289  1
  Ni  Ni99  1  0.860204  0.218798  0.292380  1
  Ni  Ni100  1  0.628233  0.873813  0.302170  1
  Ni  Ni101  1  0.627275  0.488717  0.338159  1
  Ni  Ni102  1  0.627132  0.104581  0.375942  1
  Ni  Ni103  1  0.625916  0.777972  0.311199  1
  Ni  Ni104  1  0.627425  0.392633  0.347445  1
  Ni  Ni105  1  0.626839  0.008392  0.385046  1
  Ni  Ni106  1  0.898558  0.817421  0.284249  1
  Ni  Ni107  1  0.873339  0.430795  0.318898  1
  Ni  Ni108  1  0.878238  0.046714  0.357075  1
  Ni  Ni109  1  0.360204  0.718798  0.292380  1
  Ni  Ni110  1  0.378155  0.334924  0.329213  1
  Ni  Ni111  1  0.375800  0.950634  0.366289  1
  Ni  Ni112  1  0.127132  0.604581  0.375942  1
  Ni  Ni113  1  0.128233  0.373813  0.302170  1
  Ni  Ni114  1  0.127275  0.988717  0.338159  1
  Ni  Ni115  1  0.126839  0.508392  0.385046  1
  Ni  Ni116  1  0.125916  0.277972  0.311199  1
  Ni  Ni117  1  0.127425  0.892633  0.347445  1
  Ni  Ni118  1  0.378238  0.546714  0.357075  1
  Ni  Ni119  1  0.398558  0.317421  0.284249  1
  Ni  Ni120  1  0.373339  0.930795  0.318898  1
  Ni  Ni121  1  0.375113  0.758421  0.385081  1
  Ni  Ni122  1  0.385454  0.527850  0.309571  1
  Ni  Ni123  1  0.376007  0.143272  0.347853  1
  Ni  Ni124  1  0.126077  0.796517  0.356761  1
  Ni  Ni125  1  0.135028  0.568993  0.283779  1
  Ni  Ni126  1  0.123718  0.181863  0.320495  1
  Ni  Ni127  1  0.124184  0.700862  0.366333  1
  Ni  Ni128  1  0.129848  0.471025  0.293271  1
  Ni  Ni129  1  0.128882  0.085430  0.329128  1
  Ni  Ni130  1  0.373125  0.739121  0.338307  1
  Ni  Ni131  1  0.378270  0.354663  0.375890  1
  Ni  Ni132  1  0.378617  0.123560  0.301280  1
  Ni  Ni133  1  0.876007  0.643272  0.347853  1
  Ni  Ni134  1  0.875113  0.258421  0.385081  1
  Ni  Ni135  1  0.885454  0.027850  0.309571  1
  Ni  Ni136  1  0.623718  0.681863  0.320495  1
  Ni  Ni137  1  0.626077  0.296517  0.356761  1
  Ni  Ni138  1  0.635028  0.068993  0.283779  1
  Ni  Ni139  1  0.628882  0.585430  0.329128  1
  Ni  Ni140  1  0.624184  0.200862  0.366333  1
  Ni  Ni141  1  0.629848  0.971025  0.293271  1
  Ni  Ni142  1  0.878617  0.623560  0.301280  1
  Ni  Ni143  1  0.873125  0.239121  0.338307  1
  Ni  Ni144  1  0.878270  0.854663  0.375890  1
  Ni  Ni145  1  0.876498  0.681453  0.440708  1
  Ni  Ni146  1  0.876554  0.296827  0.477751  1
  Ni  Ni147  1  0.876953  0.066003  0.403586  1
  Ni  Ni148  1  0.626294  0.719929  0.412891  1
  Ni  Ni149  1  0.626577  0.335305  0.449945  1
  Ni  Ni150  1  0.626632  0.950660  0.487013  1
  Ni  Ni151  1  0.626626  0.623725  0.422163  1
  Ni  Ni152  1  0.626531  0.239133  0.459222  1
  Ni  Ni153  1  0.626579  0.854515  0.496286  1
  Ni  Ni154  1  0.876881  0.662200  0.394451  1
  Ni  Ni155  1  0.876432  0.277615  0.431415  1
  Ni  Ni156  1  0.876600  0.892992  0.468483  1
  Ni  Ni157  1  0.376953  0.566003  0.403586  1
  Ni  Ni158  1  0.376498  0.181453  0.440708  1
  Ni  Ni159  1  0.376554  0.796827  0.477751  1
  Ni  Ni160  1  0.126632  0.450660  0.487013  1
  Ni  Ni161  1  0.126294  0.219929  0.412891  1
  Ni  Ni162  1  0.126577  0.835305  0.449945  1
  Ni  Ni163  1  0.126579  0.354515  0.496286  1
  Ni  Ni164  1  0.126626  0.123725  0.422163  1
  Ni  Ni165  1  0.126531  0.739133  0.459222  1
  Ni  Ni166  1  0.376600  0.392992  0.468483  1
  Ni  Ni167  1  0.376881  0.162200  0.394451  1
  Ni  Ni168  1  0.376432  0.777615  0.431415  1
  Ni  Ni169  1  0.376594  0.604482  0.496294  1
  Ni  Ni170  1  0.376576  0.373776  0.422164  1
  Ni  Ni171  1  0.376700  0.989110  0.459197  1
  Ni  Ni172  1  0.126589  0.642954  0.468483  1
  Ni  Ni173  1  0.126588  0.412269  0.394338  1
  Ni  Ni174  1  0.126756  0.027568  0.431396  1
  Ni  Ni175  1  0.126657  0.546791  0.477754  1
  Ni  Ni176  1  0.126475  0.316098  0.403619  1
  Ni  Ni177  1  0.126669  0.931441  0.440651  1
  Ni  Ni178  1  0.376604  0.585262  0.449944  1
  Ni  Ni179  1  0.376534  0.200650  0.487026  1
  Ni  Ni180  1  0.376601  0.969877  0.412812  1
  Ni  Ni181  1  0.876700  0.489110  0.459197  1
  Ni  Ni182  1  0.876594  0.104482  0.496294  1
  Ni  Ni183  1  0.876576  0.873776  0.422164  1
  Ni  Ni184  1  0.626756  0.527568  0.431396  1
  Ni  Ni185  1  0.626589  0.142954  0.468483  1
  Ni  Ni186  1  0.626588  0.912269  0.394338  1
  Ni  Ni187  1  0.626669  0.431441  0.440651  1
  Ni  Ni188  1  0.626657  0.046791  0.477754  1
  Ni  Ni189  1  0.626475  0.816098  0.403619  1
  Ni  Ni190  1  0.876601  0.469877  0.412812  1
  Ni  Ni191  1  0.876604  0.085262  0.449944  1
  Ni  Ni192  1  0.876534  0.700650  0.487026  1
  Ni  Ni193  1  0.876661  0.527530  0.551917  1
  Ni  Ni194  1  0.876305  0.142910  0.589001  1
  Ni  Ni195  1  0.876572  0.912201  0.514830  1
  Ni  Ni196  1  0.626626  0.566019  0.524108  1
  Ni  Ni197  1  0.626484  0.181376  0.561164  1
  Ni  Ni198  1  0.626280  0.796781  0.598180  1
  Ni  Ni199  1  0.626624  0.469879  0.533370  1
  Ni  Ni200  1  0.626552  0.085221  0.570449  1
  Ni  Ni201  1  0.626215  0.700549  0.607449  1
  Ni  Ni202  1  0.876642  0.508336  0.505559  1
  Ni  Ni203  1  0.876607  0.123691  0.542646  1
  Ni  Ni204  1  0.876400  0.739079  0.579645  1
  Ni  Ni205  1  0.376572  0.412201  0.514830  1
  Ni  Ni206  1  0.376661  0.027530  0.551917  1
  Ni  Ni207  1  0.376305  0.642910  0.589001  1
  Ni  Ni208  1  0.126280  0.296781  0.598180  1
  Ni  Ni209  1  0.126626  0.066019  0.524108  1
  Ni  Ni210  1  0.126484  0.681376  0.561164  1
  Ni  Ni211  1  0.126215  0.200549  0.607449  1
  Ni  Ni212  1  0.126624  0.969879  0.533370  1
  Ni  Ni213  1  0.126552  0.585221  0.570449  1
  Ni  Ni214  1  0.376400  0.239079  0.579645  1
  Ni  Ni215  1  0.376642  0.008336  0.505559  1
  Ni  Ni216  1  0.376607  0.623691  0.542646  1
  Ni  Ni217  1  0.378113  0.450661  0.607546  1
  Ni  Ni218  1  0.376526  0.219863  0.533348  1
  Ni  Ni219  1  0.376509  0.835286  0.570411  1
  Ni  Ni220  1  0.126785  0.489085  0.579779  1
  Ni  Ni221  1  0.126536  0.258348  0.505558  1
  Ni  Ni222  1  0.126571  0.873733  0.542620  1
  Ni  Ni223  1  0.126525  0.393014  0.589007  1
  Ni  Ni224  1  0.126535  0.162176  0.514828  1
  Ni  Ni225  1  0.126534  0.777564  0.551884  1
  Ni  Ni226  1  0.376712  0.431425  0.561198  1
  Ni  Ni227  1  0.376363  0.046760  0.598239  1
  Ni  Ni228  1  0.376582  0.816036  0.524086  1
  Ni  Ni229  1  0.876509  0.335286  0.570411  1
  Ni  Ni230  1  0.878113  0.950661  0.607546  1
  Ni  Ni231  1  0.876526  0.719863  0.533348  1
  Ni  Ni232  1  0.626571  0.373733  0.542620  1
  Ni  Ni233  1  0.626785  0.989085  0.579779  1
  Ni  Ni234  1  0.626536  0.758348  0.505558  1
  Ni  Ni235  1  0.626534  0.277564  0.551884  1
  Ni  Ni236  1  0.626525  0.893014  0.589007  1
  Ni  Ni237  1  0.626535  0.662176  0.514828  1
  Ni  Ni238  1  0.876582  0.316036  0.524086  1
  Ni  Ni239  1  0.876712  0.931425  0.561198  1
  Ni  Ni240  1  0.876363  0.546760  0.598239  1
  Ni  Ni241  1  0.874164  0.374033  0.663408  1
  Ni  Ni242  1  0.883547  0.988148  0.699917  1
  Ni  Ni243  1  0.877913  0.758244  0.625877  1
  Ni  Ni244  1  0.626855  0.412546  0.635977  1
  Ni  Ni245  1  0.629130  0.027291  0.672175  1
  Ni  Ni246  1  0.622970  0.642112  0.708555  1
  Ni  Ni247  1  0.626207  0.316352  0.644957  1
  Ni  Ni248  1  0.624726  0.930524  0.681063  1
  Ni  Ni249  1  0.616979  0.546945  0.717045  1
  Ni  Ni250  1  0.874809  0.354505  0.616694  1
  Ni  Ni251  1  0.879127  0.969641  0.654247  1
  Ni  Ni252  1  0.879078  0.586509  0.691593  1
  Ni  Ni253  1  0.377913  0.258244  0.625877  1
  Ni  Ni254  1  0.374164  0.874033  0.663408  1
  Ni  Ni255  1  0.383547  0.488148  0.699917  1
  Ni  Ni256  1  0.122970  0.142112  0.708555  1
  Ni  Ni257  1  0.126855  0.912546  0.635977  1
  Ni  Ni258  1  0.129130  0.527291  0.672175  1
  Ni  Ni259  1  0.116979  0.046945  0.717045  1
  Ni  Ni260  1  0.126207  0.816352  0.644957  1
  Ni  Ni261  1  0.124726  0.430524  0.681063  1
  Ni  Ni262  1  0.379078  0.086509  0.691593  1
  Ni  Ni263  1  0.374809  0.854505  0.616694  1
  Ni  Ni264  1  0.379127  0.469641  0.654247  1
  Ni  Ni265  1  0.396109  0.295698  0.717502  1
  Ni  Ni266  1  0.377776  0.065776  0.644871  1
  Ni  Ni267  1  0.369185  0.681521  0.682982  1
  Ni  Ni268  1  0.125981  0.334958  0.690526  1
  Ni  Ni269  1  0.126275  0.104320  0.616705  1
  Ni  Ni270  1  0.126774  0.720227  0.654256  1
  Ni  Ni271  1  0.125783  0.239041  0.699448  1
  Ni  Ni272  1  0.129130  0.008101  0.626364  1
  Ni  Ni273  1  0.125904  0.623811  0.663568  1
  Ni  Ni274  1  0.377760  0.277761  0.672540  1
  Ni  Ni275  1  0.355863  0.891225  0.708544  1
  Ni  Ni276  1  0.375320  0.662235  0.635475  1
  Ni  Ni277  1  0.869185  0.181521  0.682982  1
  Ni  Ni278  1  0.896109  0.795698  0.717502  1
  Ni  Ni279  1  0.877776  0.565776  0.644871  1
  Ni  Ni280  1  0.626774  0.220227  0.654256  1
  Ni  Ni281  1  0.625981  0.834958  0.690526  1
  Ni  Ni282  1  0.626275  0.604320  0.616705  1
  Ni  Ni283  1  0.625904  0.123811  0.663568  1
  Ni  Ni284  1  0.625783  0.739041  0.699448  1
  Ni  Ni285  1  0.629130  0.508101  0.626364  1
  Ni  Ni286  1  0.875320  0.162235  0.635475  1
  Ni  Ni287  1  0.877760  0.777761  0.672540  1
  Ni  Ni288  1  0.855863  0.391225  0.708544  1
