# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99993510
_cell_length_b   22.14468706
_cell_length_c   53.36735647
_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   8272.54716502
_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  0.250035  0.348544  0.294793  1
  Zr  Zr2  1  0.242805  0.045975  0.255137  1
  Zr  Zr3  1  0.251788  0.648529  0.335948  1
  Zr  Zr4  1  0.003966  0.248955  0.314575  1
  Zr  Zr5  1  0.984806  0.946383  0.273951  1
  Zr  Zr6  1  1.000697  0.548445  0.356698  1
  Zr  Zr7  1  0.772471  0.197002  0.274050  1
  Zr  Zr8  1  0.751362  0.798548  0.356883  1
  Zr  Zr9  1  0.750205  0.499038  0.314741  1
  Zr  Zr10  1  0.500679  0.398635  0.335509  1
  Zr  Zr11  1  0.503903  0.098661  0.294771  1
  Zr  Zr12  1  0.506960  0.799848  0.254649  1
  Zr  Zr13  1  0.752711  0.298501  0.356616  1
  Zr  Zr14  1  0.749999  0.999083  0.314842  1
  Zr  Zr15  1  0.766062  0.697444  0.273918  1
  Zr  Zr16  1  0.516426  0.300078  0.255591  1
  Zr  Zr17  1  0.500538  0.898496  0.335986  1
  Zr  Zr18  1  0.503002  0.599205  0.294647  1
  Zr  Zr19  1  0.252835  0.148554  0.335528  1
  Zr  Zr20  1  0.248723  0.849258  0.294732  1
  Zr  Zr21  1  0.239627  0.554303  0.254876  1
  Zr  Zr22  1  0.982224  0.448018  0.273976  1
  Zr  Zr23  1  1.000981  0.048597  0.356769  1
  Zr  Zr24  1  0.001473  0.749116  0.315045  1
  Zr  Zr25  1  0.251980  0.248527  0.419126  1
  Zr  Zr26  1  0.251001  0.948565  0.377574  1
  Zr  Zr27  1  0.251568  0.548389  0.460918  1
  Zr  Zr28  1  0.001480  0.148577  0.440064  1
  Zr  Zr29  1  1.001203  0.848550  0.398491  1
  Zr  Zr30  1  1.001286  0.448396  0.481748  1
  Zr  Zr31  1  0.751558  0.098625  0.398380  1
  Zr  Zr32  1  0.751512  0.698428  0.481812  1
  Zr  Zr33  1  0.751644  0.398432  0.440015  1
  Zr  Zr34  1  0.501391  0.298469  0.460888  1
  Zr  Zr35  1  0.501129  0.998607  0.419254  1
  Zr  Zr36  1  0.501375  0.698423  0.377579  1
  Zr  Zr37  1  0.751627  0.198499  0.481767  1
  Zr  Zr38  1  0.751391  0.898561  0.440165  1
  Zr  Zr39  1  0.751361  0.598397  0.398389  1
  Zr  Zr40  1  0.501881  0.198531  0.377394  1
  Zr  Zr41  1  0.501250  0.798480  0.460998  1
  Zr  Zr42  1  0.501029  0.498389  0.419160  1
  Zr  Zr43  1  0.251526  0.048560  0.460965  1
  Zr  Zr44  1  0.251588  0.748465  0.419292  1
  Zr  Zr45  1  0.251460  0.448414  0.377393  1
  Zr  Zr46  1  0.001631  0.348490  0.398290  1
  Zr  Zr47  1  1.001307  0.948533  0.481831  1
  Zr  Zr48  1  1.001207  0.648408  0.440114  1
  Zr  Zr49  1  0.251558  0.148459  0.544358  1
  Zr  Zr50  1  0.251511  0.848490  0.502677  1
  Zr  Zr51  1  0.251539  0.448373  0.586033  1
  Zr  Zr52  1  1.001138  0.048486  0.565253  1
  Zr  Zr53  1  1.001278  0.748439  0.523502  1
  Zr  Zr54  1  0.001703  0.348395  0.606946  1
  Zr  Zr55  1  0.751553  0.998506  0.523520  1
  Zr  Zr56  1  0.751213  0.598375  0.606898  1
  Zr  Zr57  1  0.751704  0.298419  0.565219  1
  Zr  Zr58  1  0.501281  0.198436  0.586080  1
  Zr  Zr59  1  0.501328  0.898470  0.544366  1
  Zr  Zr60  1  0.501254  0.598396  0.502629  1
  Zr  Zr61  1  0.751166  0.098463  0.607000  1
  Zr  Zr62  1  0.751720  0.798449  0.565222  1
  Zr  Zr63  1  0.751576  0.498386  0.523462  1
  Zr  Zr64  1  0.501333  0.098519  0.502653  1
  Zr  Zr65  1  0.501331  0.698413  0.586029  1
  Zr  Zr66  1  0.501318  0.398387  0.544319  1
  Zr  Zr67  1  0.251578  0.948475  0.586075  1
  Zr  Zr68  1  0.251527  0.648398  0.544326  1
  Zr  Zr69  1  0.251631  0.348425  0.502606  1
  Zr  Zr70  1  1.001323  0.248452  0.523480  1
  Zr  Zr71  1  0.001649  0.848443  0.606953  1
  Zr  Zr72  1  1.001169  0.548381  0.565188  1
  Zr  Zr73  1  0.252387  0.048465  0.669408  1
  Zr  Zr74  1  0.251678  0.748321  0.627718  1
  Zr  Zr75  1  0.261610  0.351296  0.711557  1
  Zr  Zr76  1  0.003186  0.947535  0.690150  1
  Zr  Zr77  1  1.001365  0.648374  0.648479  1
  Zr  Zr78  1  0.996590  0.245901  0.730586  1
  Zr  Zr79  1  0.751478  0.898370  0.648570  1
  Zr  Zr80  1  0.754611  0.495812  0.730605  1
  Zr  Zr81  1  0.749539  0.197630  0.690167  1
  Zr  Zr82  1  0.490002  0.100678  0.712312  1
  Zr  Zr83  1  0.500818  0.798414  0.669390  1
  Zr  Zr84  1  0.501124  0.498301  0.627698  1
  Zr  Zr85  1  0.751162  0.995556  0.730919  1
  Zr  Zr86  1  0.749737  0.697582  0.690155  1
  Zr  Zr87  1  0.751507  0.398397  0.648485  1
  Zr  Zr88  1  0.501317  0.998328  0.627779  1
  Zr  Zr89  1  0.490869  0.600828  0.711441  1
  Zr  Zr90  1  0.500355  0.298332  0.669530  1
  Zr  Zr91  1  0.263252  0.850184  0.712189  1
  Zr  Zr92  1  0.252159  0.548276  0.669509  1
  Zr  Zr93  1  0.251612  0.248310  0.627760  1
  Zr  Zr94  1  1.001389  0.148391  0.648574  1
  Zr  Zr95  1  0.003270  0.745418  0.730937  1
  Zr  Zr96  1  0.003266  0.447683  0.690182  1
  Ni  Ni97  1  0.874627  0.373815  0.314549  1
  Ni  Ni98  1  0.875671  0.072188  0.272757  1
  Ni  Ni99  1  0.876484  0.673522  0.356872  1
  Ni  Ni100  1  0.620589  0.399237  0.283582  1
  Ni  Ni101  1  0.625929  0.998626  0.367179  1
  Ni  Ni102  1  0.629075  0.698531  0.325428  1
  Ni  Ni103  1  0.629390  0.298196  0.303996  1
  Ni  Ni104  1  0.616646  1.000678  0.263378  1
  Ni  Ni105  1  0.626083  0.598565  0.346411  1
  Ni  Ni106  1  0.879122  0.322879  0.272732  1
  Ni  Ni107  1  0.875611  0.923578  0.356882  1
  Ni  Ni108  1  0.878343  0.623753  0.314875  1
  Ni  Ni109  1  0.386024  0.222976  0.292941  1
  Ni  Ni110  1  0.353559  0.921892  0.252900  1
  Ni  Ni111  1  0.374845  0.523221  0.335589  1
  Ni  Ni112  1  0.137052  0.252000  0.263088  1
  Ni  Ni113  1  0.125859  0.848623  0.346532  1
  Ni  Ni114  1  0.123947  0.548349  0.304027  1
  Ni  Ni115  1  0.134282  0.148346  0.283381  1
  Ni  Ni116  1  0.126616  0.748499  0.367236  1
  Ni  Ni117  1  0.123770  0.448420  0.325047  1
  Ni  Ni118  1  0.376322  0.073664  0.377529  1
  Ni  Ni119  1  0.377581  0.773551  0.336032  1
  Ni  Ni120  1  0.366918  0.473323  0.292806  1
  Ni  Ni121  1  0.377127  0.323478  0.377375  1
  Ni  Ni122  1  0.374888  0.023521  0.335927  1
  Ni  Ni123  1  0.382651  0.723824  0.293830  1
  Ni  Ni124  1  0.126940  0.348634  0.346228  1
  Ni  Ni125  1  0.124551  0.048096  0.304108  1
  Ni  Ni126  1  0.134755  0.751202  0.263411  1
  Ni  Ni127  1  0.127464  0.248528  0.366979  1
  Ni  Ni128  1  0.122813  0.948437  0.325401  1
  Ni  Ni129  1  0.131367  0.649648  0.283870  1
  Ni  Ni130  1  0.378424  0.273189  0.335536  1
  Ni  Ni131  1  0.369885  0.973416  0.293843  1
  Ni  Ni132  1  0.398423  0.673530  0.252874  1
  Ni  Ni133  1  0.877381  0.173538  0.356650  1
  Ni  Ni134  1  0.873343  0.873543  0.314960  1
  Ni  Ni135  1  0.874771  0.573028  0.272863  1
  Ni  Ni136  1  0.630081  0.198263  0.325037  1
  Ni  Ni137  1  0.619727  0.898698  0.283736  1
  Ni  Ni138  1  0.625677  0.498417  0.367022  1
  Ni  Ni139  1  0.626825  0.098655  0.346314  1
  Ni  Ni140  1  0.628024  0.798223  0.304228  1
  Ni  Ni141  1  0.616998  0.502330  0.263054  1
  Ni  Ni142  1  0.879486  0.123564  0.314612  1
  Ni  Ni143  1  0.876047  0.822342  0.272928  1
  Ni  Ni144  1  0.876276  0.423532  0.356638  1
  Ni  Ni145  1  0.876628  0.273502  0.440024  1
  Ni  Ni146  1  0.876136  0.973629  0.398471  1
  Ni  Ni147  1  0.876400  0.573393  0.481777  1
  Ni  Ni148  1  0.626778  0.298495  0.408706  1
  Ni  Ni149  1  0.626400  0.898511  0.492257  1
  Ni  Ni150  1  0.626352  0.598397  0.450512  1
  Ni  Ni151  1  0.626622  0.198547  0.429595  1
  Ni  Ni152  1  0.626001  0.898598  0.388095  1
  Ni  Ni153  1  0.626400  0.498394  0.471327  1
  Ni  Ni154  1  0.876956  0.223567  0.398317  1
  Ni  Ni155  1  0.876393  0.823486  0.481836  1
  Ni  Ni156  1  0.876343  0.523396  0.440059  1
  Ni  Ni157  1  0.376536  0.123590  0.419216  1
  Ni  Ni158  1  0.376318  0.823549  0.377681  1
  Ni  Ni159  1  0.376473  0.423418  0.460881  1
  Ni  Ni160  1  0.126915  0.148599  0.387911  1
  Ni  Ni161  1  0.126401  0.748453  0.471398  1
  Ni  Ni162  1  0.126438  0.448415  0.429589  1
  Ni  Ni163  1  0.126363  0.048610  0.408821  1
  Ni  Ni164  1  0.126387  0.648410  0.492219  1
  Ni  Ni165  1  0.126580  0.348449  0.450451  1
  Ni  Ni166  1  0.376421  0.973520  0.502675  1
  Ni  Ni167  1  0.376366  0.673419  0.460958  1
  Ni  Ni168  1  0.376572  0.373446  0.419144  1
  Ni  Ni169  1  0.376488  0.223476  0.502626  1
  Ni  Ni170  1  0.376343  0.923547  0.460989  1
  Ni  Ni171  1  0.376366  0.623396  0.419251  1
  Ni  Ni172  1  0.126549  0.248488  0.471323  1
  Ni  Ni173  1  0.126322  0.948580  0.429713  1
  Ni  Ni174  1  0.126451  0.648436  0.388031  1
  Ni  Ni175  1  0.126480  0.148511  0.492213  1
  Ni  Ni176  1  0.126345  0.848516  0.450577  1
  Ni  Ni177  1  0.126244  0.548395  0.408783  1
  Ni  Ni178  1  0.376543  0.173540  0.460910  1
  Ni  Ni179  1  0.376269  0.873551  0.419329  1
  Ni  Ni180  1  0.375947  0.573355  0.377505  1
  Ni  Ni181  1  0.876434  0.073540  0.481806  1
  Ni  Ni182  1  0.876359  0.773482  0.440157  1
  Ni  Ni183  1  0.876158  0.473446  0.398338  1
  Ni  Ni184  1  0.626455  0.098565  0.450513  1
  Ni  Ni185  1  0.626353  0.798510  0.408908  1
  Ni  Ni186  1  0.626463  0.398413  0.492176  1
  Ni  Ni187  1  0.626382  0.998550  0.471393  1
  Ni  Ni188  1  0.626346  0.698439  0.429707  1
  Ni  Ni189  1  0.626379  0.398453  0.387850  1
  Ni  Ni190  1  0.876406  0.023590  0.440119  1
  Ni  Ni191  1  0.876471  0.723492  0.398497  1
  Ni  Ni192  1  0.876503  0.323448  0.481748  1
  Ni  Ni193  1  0.876361  0.173439  0.565214  1
  Ni  Ni194  1  0.876432  0.873482  0.523525  1
  Ni  Ni195  1  0.876420  0.473369  0.606862  1
  Ni  Ni196  1  0.626456  0.198464  0.533923  1
  Ni  Ni197  1  0.626669  0.798416  0.617329  1
  Ni  Ni198  1  0.626393  0.498369  0.575595  1
  Ni  Ni199  1  0.626394  0.098470  0.554799  1
  Ni  Ni200  1  0.626427  0.798464  0.513097  1
  Ni  Ni201  1  0.626575  0.398355  0.596442  1
  Ni  Ni202  1  0.876435  0.123490  0.523508  1
  Ni  Ni203  1  0.876508  0.723400  0.606876  1
  Ni  Ni204  1  0.876490  0.423375  0.565174  1
  Ni  Ni205  1  0.376401  0.023488  0.544372  1
  Ni  Ni206  1  0.376404  0.723434  0.502657  1
  Ni  Ni207  1  0.376531  0.323371  0.586043  1
  Ni  Ni208  1  0.126408  0.048514  0.513097  1
  Ni  Ni209  1  0.126270  0.648363  0.596425  1
  Ni  Ni210  1  0.126486  0.348398  0.554758  1
  Ni  Ni211  1  0.126417  0.948498  0.533951  1
  Ni  Ni212  1  0.126240  0.548372  0.617306  1
  Ni  Ni213  1  0.126443  0.248413  0.575631  1
  Ni  Ni214  1  0.376450  0.873405  0.627669  1
  Ni  Ni215  1  0.376274  0.573342  0.586001  1
  Ni  Ni216  1  0.376479  0.273427  0.544337  1
  Ni  Ni217  1  0.376316  0.123483  0.627754  1
  Ni  Ni218  1  0.376561  0.823400  0.586040  1
  Ni  Ni219  1  0.376407  0.523377  0.544314  1
  Ni  Ni220  1  0.126275  0.148408  0.596490  1
  Ni  Ni221  1  0.126473  0.848460  0.554791  1
  Ni  Ni222  1  0.126391  0.548390  0.513049  1
  Ni  Ni223  1  0.126302  0.048432  0.617376  1
  Ni  Ni224  1  0.126451  0.748417  0.575615  1
  Ni  Ni225  1  0.126435  0.448390  0.533892  1
  Ni  Ni226  1  0.376364  0.073429  0.586081  1
  Ni  Ni227  1  0.376443  0.773439  0.544350  1
  Ni  Ni228  1  0.376419  0.473391  0.502608  1
  Ni  Ni229  1  0.876445  0.973428  0.606928  1
  Ni  Ni230  1  0.876371  0.673401  0.565181  1
  Ni  Ni231  1  0.876476  0.373406  0.523467  1
  Ni  Ni232  1  0.626444  0.998461  0.575650  1
  Ni  Ni233  1  0.626422  0.698424  0.533919  1
  Ni  Ni234  1  0.626520  0.298390  0.617353  1
  Ni  Ni235  1  0.626611  0.898416  0.596473  1
  Ni  Ni236  1  0.626377  0.598388  0.554750  1
  Ni  Ni237  1  0.626505  0.298439  0.513049  1
  Ni  Ni238  1  0.876509  0.923464  0.565221  1
  Ni  Ni239  1  0.876387  0.623397  0.523484  1
  Ni  Ni240  1  0.876360  0.223398  0.606914  1
  Ni  Ni241  1  0.871919  0.072984  0.690724  1
  Ni  Ni242  1  0.877597  0.773491  0.648531  1
  Ni  Ni243  1  0.887772  0.371345  0.731790  1
  Ni  Ni244  1  0.623716  0.098486  0.659255  1
  Ni  Ni245  1  0.631145  0.698561  0.741095  1
  Ni  Ni246  1  0.630978  0.398381  0.700659  1
  Ni  Ni247  1  0.626101  0.998835  0.680334  1
  Ni  Ni248  1  0.626370  0.698358  0.638094  1
  Ni  Ni249  1  0.628361  0.296947  0.720739  1
  Ni  Ni250  1  0.875419  0.023502  0.648585  1
  Ni  Ni251  1  0.863064  0.621457  0.731746  1
  Ni  Ni252  1  0.880786  0.323132  0.690670  1
  Ni  Ni253  1  0.378965  0.923099  0.669547  1
  Ni  Ni254  1  0.376392  0.623338  0.627621  1
  Ni  Ni255  1  0.372179  0.225383  0.711735  1
  Ni  Ni256  1  0.126672  0.948379  0.638165  1
  Ni  Ni257  1  0.123560  0.546813  0.720778  1
  Ni  Ni258  1  0.126978  0.248991  0.680388  1
  Ni  Ni259  1  0.129020  0.848430  0.659192  1
  Ni  Ni260  1  0.117190  0.447846  0.740703  1
  Ni  Ni261  1  0.121128  0.148375  0.700725  1
  Ni  Ni262  1  0.360025  0.773763  0.751506  1
  Ni  Ni263  1  0.379907  0.475050  0.711702  1
  Ni  Ni264  1  0.374147  0.173419  0.669808  1
  Ni  Ni265  1  0.393719  0.024037  0.751516  1
  Ni  Ni266  1  0.374840  0.724109  0.710976  1
  Ni  Ni267  1  0.378525  0.423433  0.669698  1
  Ni  Ni268  1  0.124502  0.046711  0.720926  1
  Ni  Ni269  1  0.127152  0.748789  0.680283  1
  Ni  Ni270  1  0.126688  0.448356  0.638110  1
  Ni  Ni271  1  0.121920  0.948913  0.741189  1
  Ni  Ni272  1  0.121507  0.648115  0.700584  1
  Ni  Ni273  1  0.129070  0.348480  0.659184  1
  Ni  Ni274  1  0.378734  0.974423  0.710998  1
  Ni  Ni275  1  0.374086  0.673120  0.669438  1
  Ni  Ni276  1  0.376572  0.373415  0.627706  1
  Ni  Ni277  1  0.890253  0.871368  0.731852  1
  Ni  Ni278  1  0.871646  0.573048  0.690648  1
  Ni  Ni279  1  0.877463  0.273477  0.648555  1
  Ni  Ni280  1  0.632099  0.898113  0.700652  1
  Ni  Ni281  1  0.623924  0.598422  0.659117  1
  Ni  Ni282  1  0.635593  0.198179  0.740764  1
  Ni  Ni283  1  0.629323  0.796580  0.720964  1
  Ni  Ni284  1  0.625490  0.498944  0.680336  1
  Ni  Ni285  1  0.625998  0.198378  0.638179  1
  Ni  Ni286  1  0.881378  0.822903  0.690703  1
  Ni  Ni287  1  0.875253  0.523463  0.648502  1
  Ni  Ni288  1  0.864630  0.121247  0.731895  1
