# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98471315
_cell_length_b   25.20720061
_cell_length_c   52.51817582
_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   9246.61606933
_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  0.501895  0.652703  0.371280  1
  Zr  Zr2  1  0.493092  0.420274  0.298257  1
  Zr  Zr3  1  0.502836  0.037531  0.334080  1
  Zr  Zr4  1  0.751683  0.556474  0.380529  1
  Zr  Zr5  1  0.756931  0.324480  0.307104  1
  Zr  Zr6  1  0.750461  0.941274  0.343443  1
  Zr  Zr7  1  0.993092  0.920274  0.298257  1
  Zr  Zr8  1  0.002836  0.537531  0.334080  1
  Zr  Zr9  1  0.001895  0.152703  0.371280  1
  Zr  Zr10  1  0.256931  0.824480  0.307104  1
  Zr  Zr11  1  0.250461  0.441274  0.343443  1
  Zr  Zr12  1  0.251683  0.056474  0.380529  1
  Zr  Zr13  1  0.990219  0.729467  0.314997  1
  Zr  Zr14  1  0.001561  0.345195  0.352752  1
  Zr  Zr15  1  0.009857  0.117229  0.281217  1
  Zr  Zr16  1  0.250199  0.634035  0.325443  1
  Zr  Zr17  1  0.251791  0.248860  0.362097  1
  Zr  Zr18  1  0.261340  0.017957  0.289143  1
  Zr  Zr19  1  0.501561  0.845195  0.352752  1
  Zr  Zr20  1  0.509857  0.617229  0.281217  1
  Zr  Zr21  1  0.490219  0.229467  0.314997  1
  Zr  Zr22  1  0.751791  0.748860  0.362097  1
  Zr  Zr23  1  0.761340  0.517957  0.289143  1
  Zr  Zr24  1  0.750199  0.134035  0.325443  1
  Zr  Zr25  1  0.500977  0.498765  0.482338  1
  Zr  Zr26  1  0.501214  0.268067  0.408278  1
  Zr  Zr27  1  0.501142  0.883408  0.445225  1
  Zr  Zr28  1  0.751527  0.402628  0.491615  1
  Zr  Zr29  1  0.751260  0.171831  0.417410  1
  Zr  Zr30  1  0.751159  0.787239  0.454521  1
  Zr  Zr31  1  1.001214  0.768067  0.408278  1
  Zr  Zr32  1  1.001142  0.383408  0.445225  1
  Zr  Zr33  1  1.000977  0.998765  0.482338  1
  Zr  Zr34  1  0.251260  0.671831  0.417410  1
  Zr  Zr35  1  0.251159  0.287239  0.454521  1
  Zr  Zr36  1  0.251527  0.902628  0.491615  1
  Zr  Zr37  1  0.001402  0.575639  0.426691  1
  Zr  Zr38  1  1.000930  0.191061  0.463781  1
  Zr  Zr39  1  1.001264  0.960399  0.389723  1
  Zr  Zr40  1  0.251329  0.479545  0.435910  1
  Zr  Zr41  1  0.251493  0.094908  0.473062  1
  Zr  Zr42  1  0.251304  0.864199  0.398988  1
  Zr  Zr43  1  0.500930  0.691061  0.463781  1
  Zr  Zr44  1  0.501264  0.460399  0.389723  1
  Zr  Zr45  1  0.501402  0.075639  0.426691  1
  Zr  Zr46  1  0.751493  0.594908  0.473062  1
  Zr  Zr47  1  0.751304  0.364199  0.398988  1
  Zr  Zr48  1  0.751329  0.979545  0.435910  1
  Zr  Zr49  1  0.501350  0.344873  0.593475  1
  Zr  Zr50  1  0.501026  0.114106  0.519440  1
  Zr  Zr51  1  0.501173  0.729489  0.556527  1
  Zr  Zr52  1  0.751183  0.248635  0.602658  1
  Zr  Zr53  1  0.751568  0.017978  0.528747  1
  Zr  Zr54  1  0.751176  0.633369  0.565808  1
  Zr  Zr55  1  1.001026  0.614106  0.519440  1
  Zr  Zr56  1  1.001173  0.229489  0.556527  1
  Zr  Zr57  1  1.001350  0.844873  0.593475  1
  Zr  Zr58  1  0.251568  0.517978  0.528747  1
  Zr  Zr59  1  0.251176  0.133369  0.565808  1
  Zr  Zr60  1  0.251183  0.748635  0.602658  1
  Zr  Zr61  1  1.001257  0.421848  0.537989  1
  Zr  Zr62  1  1.001362  0.037240  0.575116  1
  Zr  Zr63  1  1.000978  0.806456  0.500882  1
  Zr  Zr64  1  0.251219  0.325692  0.547255  1
  Zr  Zr65  1  0.251446  0.941055  0.584266  1
  Zr  Zr66  1  0.251470  0.710277  0.510158  1
  Zr  Zr67  1  0.501362  0.537240  0.575116  1
  Zr  Zr68  1  0.500978  0.306456  0.500882  1
  Zr  Zr69  1  0.501257  0.921848  0.537989  1
  Zr  Zr70  1  0.751446  0.441055  0.584266  1
  Zr  Zr71  1  0.751470  0.210277  0.510158  1
  Zr  Zr72  1  0.751219  0.825692  0.547255  1
  Zr  Zr73  1  0.492393  0.192436  0.703483  1
  Zr  Zr74  1  0.499778  0.960258  0.630649  1
  Zr  Zr75  1  0.503165  0.575038  0.667476  1
  Zr  Zr76  1  0.752438  0.091824  0.712000  1
  Zr  Zr77  1  0.751046  0.864166  0.639591  1
  Zr  Zr78  1  0.760793  0.480098  0.678566  1
  Zr  Zr79  1  0.999778  0.460258  0.630649  1
  Zr  Zr80  1  0.003165  0.075038  0.667476  1
  Zr  Zr81  1  0.992393  0.692436  0.703483  1
  Zr  Zr82  1  0.251046  0.364166  0.639591  1
  Zr  Zr83  1  0.260793  0.980098  0.678566  1
  Zr  Zr84  1  0.252438  0.591824  0.712000  1
  Zr  Zr85  1  1.001120  0.267779  0.648932  1
  Zr  Zr86  1  0.993627  0.883341  0.686210  1
  Zr  Zr87  1  1.001084  0.652504  0.612010  1
  Zr  Zr88  1  0.250258  0.171557  0.658275  1
  Zr  Zr89  1  0.256708  0.788642  0.694626  1
  Zr  Zr90  1  0.250655  0.556295  0.621275  1
  Zr  Zr91  1  0.493627  0.383341  0.686210  1
  Zr  Zr92  1  0.501084  0.152504  0.612010  1
  Zr  Zr93  1  0.501120  0.767779  0.648932  1
  Zr  Zr94  1  0.756708  0.288642  0.694626  1
  Zr  Zr95  1  0.750655  0.056295  0.621275  1
  Zr  Zr96  1  0.750258  0.671557  0.658275  1
  Ni  Ni97  1  0.124668  0.700933  0.366441  1
  Ni  Ni98  1  0.128329  0.470761  0.292960  1
  Ni  Ni99  1  0.128369  0.085351  0.329111  1
  Ni  Ni100  1  0.126993  0.604628  0.375932  1
  Ni  Ni101  1  0.127520  0.373886  0.301968  1
  Ni  Ni102  1  0.126488  0.988775  0.338254  1
  Ni  Ni103  1  0.875604  0.643271  0.347706  1
  Ni  Ni104  1  0.875110  0.258520  0.385103  1
  Ni  Ni105  1  0.882813  0.027443  0.309590  1
  Ni  Ni106  1  0.894835  0.816965  0.283994  1
  Ni  Ni107  1  0.873490  0.430864  0.318965  1
  Ni  Ni108  1  0.877439  0.046772  0.356963  1
  Ni  Ni109  1  0.628369  0.585351  0.329111  1
  Ni  Ni110  1  0.624668  0.200933  0.366441  1
  Ni  Ni111  1  0.628329  0.970761  0.292960  1
  Ni  Ni112  1  0.627520  0.873886  0.301968  1
  Ni  Ni113  1  0.626488  0.488775  0.338254  1
  Ni  Ni114  1  0.626993  0.104628  0.375932  1
  Ni  Ni115  1  0.375110  0.758520  0.385103  1
  Ni  Ni116  1  0.382813  0.527443  0.309590  1
  Ni  Ni117  1  0.375604  0.143271  0.347706  1
  Ni  Ni118  1  0.377439  0.546772  0.356963  1
  Ni  Ni119  1  0.394835  0.316965  0.283994  1
  Ni  Ni120  1  0.373490  0.930864  0.318965  1
  Ni  Ni121  1  0.626044  0.777822  0.310993  1
  Ni  Ni122  1  0.626686  0.392805  0.347579  1
  Ni  Ni123  1  0.626244  0.008436  0.385022  1
  Ni  Ni124  1  0.624080  0.681797  0.320331  1
  Ni  Ni125  1  0.625851  0.296686  0.356891  1
  Ni  Ni126  1  0.631785  0.068460  0.283506  1
  Ni  Ni127  1  0.363328  0.719116  0.292108  1
  Ni  Ni128  1  0.377107  0.334984  0.329234  1
  Ni  Ni129  1  0.375426  0.950628  0.366272  1
  Ni  Ni130  1  0.373724  0.739039  0.338250  1
  Ni  Ni131  1  0.377754  0.354752  0.375901  1
  Ni  Ni132  1  0.377750  0.123555  0.301085  1
  Ni  Ni133  1  0.126244  0.508436  0.385022  1
  Ni  Ni134  1  0.126044  0.277822  0.310993  1
  Ni  Ni135  1  0.126686  0.892805  0.347579  1
  Ni  Ni136  1  0.125851  0.796686  0.356891  1
  Ni  Ni137  1  0.131785  0.568460  0.283506  1
  Ni  Ni138  1  0.124080  0.181797  0.320331  1
  Ni  Ni139  1  0.877107  0.834984  0.329234  1
  Ni  Ni140  1  0.875426  0.450628  0.366272  1
  Ni  Ni141  1  0.863328  0.219116  0.292108  1
  Ni  Ni142  1  0.877750  0.623555  0.301085  1
  Ni  Ni143  1  0.873724  0.239039  0.338250  1
  Ni  Ni144  1  0.877754  0.854752  0.375901  1
  Ni  Ni145  1  0.126280  0.546833  0.477733  1
  Ni  Ni146  1  0.126058  0.316082  0.403634  1
  Ni  Ni147  1  0.126283  0.931490  0.440667  1
  Ni  Ni148  1  0.126262  0.450702  0.486989  1
  Ni  Ni149  1  0.125926  0.219921  0.412871  1
  Ni  Ni150  1  0.126243  0.835334  0.449957  1
  Ni  Ni151  1  0.876335  0.489164  0.459195  1
  Ni  Ni152  1  0.876251  0.104507  0.496257  1
  Ni  Ni153  1  0.876144  0.873774  0.422199  1
  Ni  Ni154  1  0.876931  0.662247  0.394478  1
  Ni  Ni155  1  0.876081  0.277622  0.431426  1
  Ni  Ni156  1  0.876251  0.893037  0.468478  1
  Ni  Ni157  1  0.626283  0.431490  0.440667  1
  Ni  Ni158  1  0.626280  0.046833  0.477733  1
  Ni  Ni159  1  0.626058  0.816082  0.403634  1
  Ni  Ni160  1  0.625926  0.719921  0.412871  1
  Ni  Ni161  1  0.626243  0.335334  0.449957  1
  Ni  Ni162  1  0.626262  0.950702  0.486989  1
  Ni  Ni163  1  0.376251  0.604507  0.496257  1
  Ni  Ni164  1  0.376144  0.373774  0.422199  1
  Ni  Ni165  1  0.376335  0.989164  0.459195  1
  Ni  Ni166  1  0.376251  0.393037  0.468478  1
  Ni  Ni167  1  0.376931  0.162247  0.394478  1
  Ni  Ni168  1  0.376081  0.777622  0.431426  1
  Ni  Ni169  1  0.626247  0.623766  0.422152  1
  Ni  Ni170  1  0.626206  0.239155  0.459218  1
  Ni  Ni171  1  0.626263  0.854542  0.496248  1
  Ni  Ni172  1  0.626368  0.527623  0.431414  1
  Ni  Ni173  1  0.626282  0.142986  0.468467  1
  Ni  Ni174  1  0.626212  0.912265  0.394372  1
  Ni  Ni175  1  0.376389  0.566062  0.403596  1
  Ni  Ni176  1  0.376156  0.181494  0.440702  1
  Ni  Ni177  1  0.376232  0.796857  0.477728  1
  Ni  Ni178  1  0.376241  0.585299  0.449944  1
  Ni  Ni179  1  0.376197  0.200668  0.486993  1
  Ni  Ni180  1  0.376297  0.969908  0.412853  1
  Ni  Ni181  1  0.126263  0.354542  0.496248  1
  Ni  Ni182  1  0.126247  0.123766  0.422152  1
  Ni  Ni183  1  0.126206  0.739155  0.459218  1
  Ni  Ni184  1  0.126282  0.642986  0.468467  1
  Ni  Ni185  1  0.126212  0.412265  0.394372  1
  Ni  Ni186  1  0.126368  0.027623  0.431414  1
  Ni  Ni187  1  0.876156  0.681494  0.440702  1
  Ni  Ni188  1  0.876232  0.296857  0.477728  1
  Ni  Ni189  1  0.876389  0.066062  0.403596  1
  Ni  Ni190  1  0.876297  0.469908  0.412853  1
  Ni  Ni191  1  0.876241  0.085299  0.449944  1
  Ni  Ni192  1  0.876197  0.700668  0.486993  1
  Ni  Ni193  1  0.126325  0.393068  0.588945  1
  Ni  Ni194  1  0.126176  0.162195  0.514769  1
  Ni  Ni195  1  0.126252  0.777580  0.551797  1
  Ni  Ni196  1  0.125878  0.296852  0.598114  1
  Ni  Ni197  1  0.126302  0.066048  0.524046  1
  Ni  Ni198  1  0.126190  0.681382  0.561082  1
  Ni  Ni199  1  0.876182  0.335373  0.570335  1
  Ni  Ni200  1  0.877416  0.950628  0.607404  1
  Ni  Ni201  1  0.876233  0.719875  0.533276  1
  Ni  Ni202  1  0.876308  0.508373  0.505523  1
  Ni  Ni203  1  0.876241  0.123702  0.542576  1
  Ni  Ni204  1  0.875977  0.739130  0.579547  1
  Ni  Ni205  1  0.626252  0.277580  0.551797  1
  Ni  Ni206  1  0.626325  0.893068  0.588945  1
  Ni  Ni207  1  0.626176  0.662195  0.514769  1
  Ni  Ni208  1  0.626302  0.566048  0.524046  1
  Ni  Ni209  1  0.626190  0.181382  0.561082  1
  Ni  Ni210  1  0.625878  0.796852  0.598114  1
  Ni  Ni211  1  0.377416  0.450628  0.607404  1
  Ni  Ni212  1  0.376233  0.219875  0.533276  1
  Ni  Ni213  1  0.376182  0.835373  0.570335  1
  Ni  Ni214  1  0.375977  0.239130  0.579547  1
  Ni  Ni215  1  0.376308  0.008373  0.505523  1
  Ni  Ni216  1  0.376241  0.623702  0.542576  1
  Ni  Ni217  1  0.626260  0.469916  0.533302  1
  Ni  Ni218  1  0.626151  0.085239  0.570389  1
  Ni  Ni219  1  0.626130  0.700594  0.607396  1
  Ni  Ni220  1  0.626161  0.373760  0.542540  1
  Ni  Ni221  1  0.626570  0.989128  0.579727  1
  Ni  Ni222  1  0.626205  0.758364  0.505506  1
  Ni  Ni223  1  0.376174  0.412241  0.514788  1
  Ni  Ni224  1  0.376288  0.027538  0.551861  1
  Ni  Ni225  1  0.376189  0.642909  0.588922  1
  Ni  Ni226  1  0.376516  0.431461  0.561140  1
  Ni  Ni227  1  0.375763  0.046784  0.598132  1
  Ni  Ni228  1  0.376262  0.816064  0.524029  1
  Ni  Ni229  1  0.126130  0.200594  0.607396  1
  Ni  Ni230  1  0.126260  0.969916  0.533302  1
  Ni  Ni231  1  0.126151  0.585239  0.570389  1
  Ni  Ni232  1  0.126570  0.489128  0.579727  1
  Ni  Ni233  1  0.126205  0.258364  0.505506  1
  Ni  Ni234  1  0.126161  0.873760  0.542540  1
  Ni  Ni235  1  0.876288  0.527538  0.551861  1
  Ni  Ni236  1  0.876189  0.142909  0.588922  1
  Ni  Ni237  1  0.876174  0.912241  0.514788  1
  Ni  Ni238  1  0.876262  0.316064  0.524029  1
  Ni  Ni239  1  0.876516  0.931461  0.561140  1
  Ni  Ni240  1  0.875763  0.546784  0.598132  1
  Ni  Ni241  1  0.126150  0.239263  0.699659  1
  Ni  Ni242  1  0.127965  0.008136  0.626130  1
  Ni  Ni243  1  0.125816  0.623890  0.663415  1
  Ni  Ni244  1  0.124566  0.142511  0.708712  1
  Ni  Ni245  1  0.126323  0.912401  0.635687  1
  Ni  Ni246  1  0.128147  0.527395  0.672231  1
  Ni  Ni247  1  0.870914  0.181904  0.682833  1
  Ni  Ni248  1  0.894331  0.795878  0.717677  1
  Ni  Ni249  1  0.877370  0.565799  0.644867  1
  Ni  Ni250  1  0.874683  0.354453  0.616583  1
  Ni  Ni251  1  0.877768  0.969754  0.654181  1
  Ni  Ni252  1  0.878752  0.586573  0.691578  1
  Ni  Ni253  1  0.625816  0.123890  0.663415  1
  Ni  Ni254  1  0.626150  0.739263  0.699659  1
  Ni  Ni255  1  0.627965  0.508136  0.626130  1
  Ni  Ni256  1  0.626323  0.412401  0.635687  1
  Ni  Ni257  1  0.628147  0.027395  0.672231  1
  Ni  Ni258  1  0.624566  0.642511  0.708712  1
  Ni  Ni259  1  0.394331  0.295878  0.717677  1
  Ni  Ni260  1  0.377370  0.065799  0.644867  1
  Ni  Ni261  1  0.370914  0.681904  0.682833  1
  Ni  Ni262  1  0.378752  0.086573  0.691578  1
  Ni  Ni263  1  0.374683  0.854453  0.616583  1
  Ni  Ni264  1  0.377768  0.469754  0.654181  1
  Ni  Ni265  1  0.626125  0.316194  0.644760  1
  Ni  Ni266  1  0.624204  0.930808  0.681226  1
  Ni  Ni267  1  0.618157  0.547167  0.717226  1
  Ni  Ni268  1  0.626598  0.220239  0.654076  1
  Ni  Ni269  1  0.626072  0.835005  0.690628  1
  Ni  Ni270  1  0.625906  0.604391  0.616642  1
  Ni  Ni271  1  0.377652  0.258284  0.625832  1
  Ni  Ni272  1  0.374586  0.874030  0.663291  1
  Ni  Ni273  1  0.381491  0.488377  0.700081  1
  Ni  Ni274  1  0.376928  0.277758  0.672474  1
  Ni  Ni275  1  0.358925  0.891657  0.708703  1
  Ni  Ni276  1  0.375310  0.662311  0.635452  1
  Ni  Ni277  1  0.118157  0.047167  0.717226  1
  Ni  Ni278  1  0.126125  0.816194  0.644760  1
  Ni  Ni279  1  0.124204  0.430808  0.681226  1
  Ni  Ni280  1  0.126072  0.335005  0.690628  1
  Ni  Ni281  1  0.125906  0.104391  0.616642  1
  Ni  Ni282  1  0.126598  0.720239  0.654076  1
  Ni  Ni283  1  0.874586  0.374030  0.663291  1
  Ni  Ni284  1  0.881491  0.988377  0.700081  1
  Ni  Ni285  1  0.877652  0.758284  0.625832  1
  Ni  Ni286  1  0.875310  0.162311  0.635452  1
  Ni  Ni287  1  0.876928  0.777758  0.672474  1
  Ni  Ni288  1  0.858925  0.391657  0.708703  1
