# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65367030
_cell_length_b   16.75542384
_cell_length_c   45.41711452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.51486483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr96 Ni192'
_cell_volume   7687.64068805
_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
  Cr  Cr1  1  0.510446  0.200415  0.293183  1
  Cr  Cr2  1  0.328519  0.162311  0.331599  1
  Cr  Cr3  1  0.924549  0.180904  0.313846  1
  Cr  Cr4  1  0.922734  0.681612  0.314672  1
  Cr  Cr5  1  0.508928  0.699720  0.292795  1
  Cr  Cr6  1  0.108082  0.711487  0.276225  1
  Cr  Cr7  1  0.422095  0.430747  0.314639  1
  Cr  Cr8  1  0.008603  0.450139  0.292859  1
  Cr  Cr9  1  0.608357  0.460752  0.276442  1
  Cr  Cr10  1  0.830399  0.912045  0.331872  1
  Cr  Cr11  1  0.425563  0.932093  0.313983  1
  Cr  Cr12  1  0.010734  0.950121  0.293106  1
  Cr  Cr13  1  0.738275  0.143310  0.351508  1
  Cr  Cr14  1  0.550969  0.105170  0.388564  1
  Cr  Cr15  1  0.142570  0.124039  0.369212  1
  Cr  Cr16  1  0.142858  0.624071  0.369198  1
  Cr  Cr17  1  0.736912  0.643257  0.351301  1
  Cr  Cr18  1  0.327347  0.662384  0.330798  1
  Cr  Cr19  1  0.642415  0.374127  0.369251  1
  Cr  Cr20  1  0.236922  0.393104  0.351576  1
  Cr  Cr21  1  0.825367  0.412549  0.330547  1
  Cr  Cr22  1  0.050349  0.855533  0.388087  1
  Cr  Cr23  1  0.643098  0.873865  0.369247  1
  Cr  Cr24  1  0.238200  0.893481  0.351211  1
  Cr  Cr25  1  0.956437  0.086582  0.406331  1
  Cr  Cr26  1  0.770339  0.049016  0.443440  1
  Cr  Cr27  1  0.363820  0.067743  0.425152  1
  Cr  Cr28  1  0.363637  0.567954  0.425014  1
  Cr  Cr29  1  0.956529  0.586393  0.406383  1
  Cr  Cr30  1  0.550356  0.605401  0.388188  1
  Cr  Cr31  1  0.863769  0.317851  0.425155  1
  Cr  Cr32  1  0.456388  0.336493  0.406460  1
  Cr  Cr33  1  0.050885  0.355095  0.388596  1
  Cr  Cr34  1  0.270533  0.798958  0.443430  1
  Cr  Cr35  1  0.863709  0.817871  0.424994  1
  Cr  Cr36  1  0.456570  0.836412  0.406304  1
  Cr  Cr37  1  0.177557  0.030203  0.462078  1
  Cr  Cr38  1  0.991395  0.992621  0.499076  1
  Cr  Cr39  1  0.584391  0.011412  0.480553  1
  Cr  Cr40  1  0.584479  0.511444  0.480594  1
  Cr  Cr41  1  0.177489  0.530353  0.462059  1
  Cr  Cr42  1  0.770503  0.548996  0.443473  1
  Cr  Cr43  1  0.084423  0.261448  0.480591  1
  Cr  Cr44  1  0.677542  0.280310  0.462125  1
  Cr  Cr45  1  0.270268  0.299038  0.443477  1
  Cr  Cr46  1  0.491401  0.742609  0.499084  1
  Cr  Cr47  1  0.084435  0.761425  0.480536  1
  Cr  Cr48  1  0.677522  0.780240  0.462020  1
  Cr  Cr49  1  0.398357  0.973864  0.517623  1
  Cr  Cr50  1  0.212512  0.936273  0.554737  1
  Cr  Cr51  1  0.805238  0.955001  0.536088  1
  Cr  Cr52  1  0.805258  0.455072  0.536194  1
  Cr  Cr53  1  0.398345  0.473886  0.517677  1
  Cr  Cr54  1  0.991379  0.492702  0.499130  1
  Cr  Cr55  1  0.305223  0.205108  0.536136  1
  Cr  Cr56  1  0.898389  0.223899  0.517661  1
  Cr  Cr57  1  0.491385  0.242690  0.499138  1
  Cr  Cr58  1  0.712277  0.686315  0.554740  1
  Cr  Cr59  1  0.305291  0.704958  0.536155  1
  Cr  Cr60  1  0.898301  0.723868  0.517620  1
  Cr  Cr61  1  0.619011  0.917461  0.573059  1
  Cr  Cr62  1  0.431896  0.880217  0.609618  1
  Cr  Cr63  1  0.026392  0.898818  0.591754  1
  Cr  Cr64  1  0.026211  0.398899  0.591910  1
  Cr  Cr65  1  0.619071  0.417440  0.573220  1
  Cr  Cr66  1  0.212247  0.436353  0.554784  1
  Cr  Cr67  1  0.526343  0.148729  0.591883  1
  Cr  Cr68  1  0.118960  0.167569  0.573061  1
  Cr  Cr69  1  0.712441  0.186295  0.554774  1
  Cr  Cr70  1  0.932424  0.629910  0.610025  1
  Cr  Cr71  1  0.526252  0.648918  0.591831  1
  Cr  Cr72  1  0.119143  0.667357  0.573200  1
  Cr  Cr73  1  0.840365  0.861184  0.628963  1
  Cr  Cr74  1  0.657413  0.822762  0.667666  1
  Cr  Cr75  1  0.245858  0.842207  0.646638  1
  Cr  Cr76  1  0.244580  0.341831  0.647003  1
  Cr  Cr77  1  0.839683  0.361446  0.628967  1
  Cr  Cr78  1  0.432432  0.379779  0.610127  1
  Cr  Cr79  1  0.744505  0.092001  0.646706  1
  Cr  Cr80  1  0.340211  0.111272  0.629002  1
  Cr  Cr81  1  0.931812  0.130142  0.609650  1
  Cr  Cr82  1  0.155433  0.572927  0.667416  1
  Cr  Cr83  1  0.745868  0.592055  0.646913  1
  Cr  Cr84  1  0.339922  0.611241  0.629015  1
  Cr  Cr85  1  0.060686  0.804564  0.683574  1
  Cr  Cr86  1  0.874423  0.774560  0.721772  1
  Cr  Cr87  1  0.474178  0.785172  0.705355  1
  Cr  Cr88  1  0.472047  0.285190  0.705107  1
  Cr  Cr89  1  0.057217  0.303219  0.684231  1
  Cr  Cr90  1  0.652382  0.323266  0.666342  1
  Cr  Cr91  1  0.972334  0.034896  0.705031  1
  Cr  Cr92  1  0.558231  0.054408  0.684368  1
  Cr  Cr93  1  0.154262  0.073001  0.666615  1
  Cr  Cr94  1  0.374699  0.523824  0.721989  1
  Cr  Cr95  1  0.973852  0.535592  0.705418  1
  Cr  Cr96  1  0.560046  0.553699  0.683542  1
  Ni  Ni97  1  0.494105  0.577272  0.332359  1
  Ni  Ni98  1  0.086938  0.595486  0.314513  1
  Ni  Ni99  1  0.678579  0.615386  0.295632  1
  Ni  Ni100  1  0.677431  0.112208  0.296002  1
  Ni  Ni101  1  0.493550  0.078685  0.333362  1
  Ni  Ni102  1  0.087389  0.098157  0.313048  1
  Ni  Ni103  1  0.437815  0.547419  0.278739  1
  Ni  Ni104  1  0.252236  0.514850  0.314087  1
  Ni  Ni105  1  0.848528  0.538170  0.295300  1
  Ni  Ni106  1  0.840886  0.032638  0.296097  1
  Ni  Ni107  1  0.440711  0.048830  0.279383  1
  Ni  Ni108  1  0.253680  0.016450  0.314121  1
  Ni  Ni109  1  0.585331  0.344826  0.314591  1
  Ni  Ni110  1  0.176276  0.362246  0.295913  1
  Ni  Ni111  1  0.992349  0.328608  0.333238  1
  Ni  Ni112  1  0.995470  0.827539  0.332433  1
  Ni  Ni113  1  0.589390  0.848871  0.313099  1
  Ni  Ni114  1  0.180017  0.865683  0.295652  1
  Ni  Ni115  1  0.344366  0.285682  0.295684  1
  Ni  Ni116  1  0.939772  0.298032  0.279362  1
  Ni  Ni117  1  0.753064  0.264790  0.314233  1
  Ni  Ni118  1  0.752812  0.766427  0.314011  1
  Ni  Ni119  1  0.346658  0.786251  0.295822  1
  Ni  Ni120  1  0.938552  0.798507  0.278782  1
  Ni  Ni121  1  0.715338  0.519579  0.387718  1
  Ni  Ni122  1  0.308039  0.539294  0.369032  1
  Ni  Ni123  1  0.900833  0.556721  0.350938  1
  Ni  Ni124  1  0.902165  0.057397  0.350687  1
  Ni  Ni125  1  0.715793  0.019480  0.387701  1
  Ni  Ni126  1  0.307911  0.038999  0.369291  1
  Ni  Ni127  1  0.663062  0.498296  0.332947  1
  Ni  Ni128  1  0.477199  0.459956  0.369807  1
  Ni  Ni129  1  0.068742  0.477599  0.351043  1
  Ni  Ni130  1  0.070281  0.978526  0.350794  1
  Ni  Ni131  1  0.662481  0.997932  0.333278  1
  Ni  Ni132  1  0.477365  0.959907  0.369753  1
  Ni  Ni133  1  0.807748  0.289284  0.369204  1
  Ni  Ni134  1  0.400405  0.306804  0.351069  1
  Ni  Ni135  1  0.215206  0.269396  0.387751  1
  Ni  Ni136  1  0.215861  0.769699  0.387602  1
  Ni  Ni137  1  0.808208  0.788955  0.369124  1
  Ni  Ni138  1  0.402700  0.807377  0.350633  1
  Ni  Ni139  1  0.569717  0.227785  0.351276  1
  Ni  Ni140  1  0.162155  0.248008  0.332927  1
  Ni  Ni141  1  0.977211  0.210037  0.369665  1
  Ni  Ni142  1  0.977514  0.709907  0.369790  1
  Ni  Ni143  1  0.569290  0.728223  0.350612  1
  Ni  Ni144  1  0.163702  0.748345  0.333024  1
  Ni  Ni145  1  0.936128  0.463677  0.443182  1
  Ni  Ni146  1  0.529348  0.482248  0.424783  1
  Ni  Ni147  1  0.122078  0.501320  0.406116  1
  Ni  Ni148  1  0.122267  0.001293  0.406136  1
  Ni  Ni149  1  0.936231  0.963667  0.443175  1
  Ni  Ni150  1  0.529372  0.981997  0.424757  1
  Ni  Ni151  1  0.883658  0.440326  0.387844  1
  Ni  Ni152  1  0.698023  0.403179  0.425230  1
  Ni  Ni153  1  0.291316  0.422311  0.406910  1
  Ni  Ni154  1  0.291170  0.922106  0.406841  1
  Ni  Ni155  1  0.884372  0.940723  0.388029  1
  Ni  Ni156  1  0.698053  0.903124  0.425203  1
  Ni  Ni157  1  0.029288  0.232067  0.424803  1
  Ni  Ni158  1  0.622241  0.251344  0.406239  1
  Ni  Ni159  1  0.436125  0.213640  0.443256  1
  Ni  Ni160  1  0.436203  0.713671  0.443121  1
  Ni  Ni161  1  0.029466  0.732231  0.424693  1
  Ni  Ni162  1  0.622112  0.751222  0.406049  1
  Ni  Ni163  1  0.791383  0.172290  0.406911  1
  Ni  Ni164  1  0.383990  0.190419  0.388133  1
  Ni  Ni165  1  0.197936  0.153094  0.425248  1
  Ni  Ni166  1  0.198097  0.653216  0.425156  1
  Ni  Ni167  1  0.791221  0.672153  0.406834  1
  Ni  Ni168  1  0.383997  0.690595  0.387752  1
  Ni  Ni169  1  0.157082  0.407259  0.498889  1
  Ni  Ni170  1  0.750138  0.426076  0.480310  1
  Ni  Ni171  1  0.343232  0.444811  0.461836  1
  Ni  Ni172  1  0.343197  0.944660  0.461794  1
  Ni  Ni173  1  0.157076  0.907175  0.498836  1
  Ni  Ni174  1  0.750142  0.926015  0.480238  1
  Ni  Ni175  1  0.104962  0.384606  0.443978  1
  Ni  Ni176  1  0.918740  0.346945  0.480933  1
  Ni  Ni177  1  0.511814  0.365657  0.462339  1
  Ni  Ni178  1  0.511837  0.865577  0.462281  1
  Ni  Ni179  1  0.104883  0.884478  0.443834  1
  Ni  Ni180  1  0.918750  0.846875  0.480844  1
  Ni  Ni181  1  0.250098  0.176028  0.480282  1
  Ni  Ni182  1  0.843232  0.194737  0.461848  1
  Ni  Ni183  1  0.657096  0.157220  0.498887  1
  Ni  Ni184  1  0.657059  0.657204  0.498845  1
  Ni  Ni185  1  0.250170  0.676061  0.480264  1
  Ni  Ni186  1  0.843233  0.694758  0.461771  1
  Ni  Ni187  1  0.011788  0.115596  0.462303  1
  Ni  Ni188  1  0.604990  0.134557  0.443980  1
  Ni  Ni189  1  0.418749  0.096907  0.480922  1
  Ni  Ni190  1  0.418734  0.596892  0.480869  1
  Ni  Ni191  1  0.011869  0.615663  0.462292  1
  Ni  Ni192  1  0.604893  0.634513  0.443856  1
  Ni  Ni193  1  0.377897  0.350833  0.554379  1
  Ni  Ni194  1  0.970943  0.369734  0.535933  1
  Ni  Ni195  1  0.564030  0.388437  0.517370  1
  Ni  Ni196  1  0.564041  0.888366  0.517281  1
  Ni  Ni197  1  0.377818  0.850705  0.554236  1
  Ni  Ni198  1  0.970967  0.869654  0.535875  1
  Ni  Ni199  1  0.325704  0.328136  0.499378  1
  Ni  Ni200  1  0.139583  0.290651  0.536419  1
  Ni  Ni201  1  0.732638  0.309297  0.517975  1
  Ni  Ni202  1  0.732642  0.809235  0.517904  1
  Ni  Ni203  1  0.325698  0.828052  0.499324  1
  Ni  Ni204  1  0.139548  0.790500  0.536377  1
  Ni  Ni205  1  0.470992  0.119715  0.535911  1
  Ni  Ni206  1  0.064031  0.138404  0.517292  1
  Ni  Ni207  1  0.877790  0.100755  0.554234  1
  Ni  Ni208  1  0.877888  0.600798  0.554358  1
  Ni  Ni209  1  0.470911  0.619648  0.535922  1
  Ni  Ni210  1  0.064046  0.638420  0.517344  1
  Ni  Ni211  1  0.232682  0.059283  0.517932  1
  Ni  Ni212  1  0.825684  0.078091  0.499326  1
  Ni  Ni213  1  0.639548  0.040574  0.536366  1
  Ni  Ni214  1  0.639547  0.540554  0.536443  1
  Ni  Ni215  1  0.232610  0.559250  0.517950  1
  Ni  Ni216  1  0.825721  0.578107  0.499368  1
  Ni  Ni217  1  0.598408  0.294588  0.610185  1
  Ni  Ni218  1  0.191610  0.313205  0.591373  1
  Ni  Ni219  1  0.784727  0.332187  0.573011  1
  Ni  Ni220  1  0.784757  0.832132  0.572984  1
  Ni  Ni221  1  0.599122  0.794985  0.610370  1
  Ni  Ni222  1  0.191464  0.813000  0.591304  1
  Ni  Ni223  1  0.546549  0.271644  0.555038  1
  Ni  Ni224  1  0.360513  0.234018  0.592078  1
  Ni  Ni225  1  0.953408  0.253314  0.573456  1
  Ni  Ni226  1  0.953432  0.753064  0.573431  1
  Ni  Ni227  1  0.546652  0.771634  0.555032  1
  Ni  Ni228  1  0.360703  0.733991  0.592097  1
  Ni  Ni229  1  0.691398  0.063022  0.591303  1
  Ni  Ni230  1  0.284844  0.082217  0.572965  1
  Ni  Ni231  1  0.098790  0.044892  0.610080  1
  Ni  Ni232  1  0.098784  0.544716  0.610462  1
  Ni  Ni233  1  0.691560  0.563158  0.591379  1
  Ni  Ni234  1  0.284683  0.582095  0.573058  1
  Ni  Ni235  1  0.453492  0.003244  0.573411  1
  Ni  Ni236  1  0.046655  0.021672  0.554958  1
  Ni  Ni237  1  0.860539  0.983967  0.591975  1
  Ni  Ni238  1  0.860668  0.484089  0.592165  1
  Ni  Ni239  1  0.453314  0.503080  0.573520  1
  Ni  Ni240  1  0.046578  0.521640  0.555093  1
  Ni  Ni241  1  0.820299  0.237379  0.664936  1
  Ni  Ni242  1  0.412499  0.256785  0.647419  1
  Ni  Ni243  1  0.005415  0.275405  0.628461  1
  Ni  Ni244  1  0.005581  0.775355  0.628406  1
  Ni  Ni245  1  0.819719  0.737015  0.665266  1
  Ni  Ni246  1  0.414038  0.757712  0.647171  1
  Ni  Ni247  1  0.766987  0.215832  0.610513  1
  Ni  Ni248  1  0.580615  0.177914  0.647527  1
  Ni  Ni249  1  0.174870  0.196313  0.628923  1
  Ni  Ni250  1  0.174741  0.696017  0.629182  1
  Ni  Ni251  1  0.767442  0.715732  0.610495  1
  Ni  Ni252  1  0.581947  0.678590  0.647276  1
  Ni  Ni253  1  0.913063  0.007526  0.646938  1
  Ni  Ni254  1  0.505569  0.025274  0.628549  1
  Ni  Ni255  1  0.320625  0.987303  0.665287  1
  Ni  Ni256  1  0.319079  0.486966  0.665190  1
  Ni  Ni257  1  0.913490  0.507088  0.647602  1
  Ni  Ni258  1  0.505266  0.525404  0.628423  1
  Ni  Ni259  1  0.675033  0.946027  0.629010  1
  Ni  Ni260  1  0.267574  0.965915  0.610463  1
  Ni  Ni261  1  0.082375  0.928507  0.647145  1
  Ni  Ni262  1  0.080080  0.427934  0.647581  1
  Ni  Ni263  1  0.674572  0.446357  0.629090  1
  Ni  Ni264  1  0.266919  0.465613  0.610612  1
  Ni  Ni265  1  0.042069  0.186481  0.718831  1
  Ni  Ni266  1  0.641895  0.202673  0.702116  1
  Ni  Ni267  1  0.229100  0.218861  0.684092  1
  Ni  Ni268  1  0.230544  0.720461  0.684127  1
  Ni  Ni269  1  0.044965  0.687893  0.719475  1
  Ni  Ni270  1  0.634253  0.697141  0.702913  1
  Ni  Ni271  1  0.989230  0.156626  0.664852  1
  Ni  Ni272  1  0.805349  0.123104  0.702211  1
  Ni  Ni273  1  0.395391  0.137154  0.685166  1
  Ni  Ni274  1  0.395842  0.639826  0.683701  1
  Ni  Ni275  1  0.988676  0.658039  0.665854  1
  Ni  Ni276  1  0.804202  0.619925  0.702581  1
  Ni  Ni277  1  0.138414  0.949629  0.702530  1
  Ni  Ni278  1  0.729717  0.970521  0.683980  1
  Ni  Ni279  1  0.543008  0.937279  0.718852  1
  Ni  Ni280  1  0.544228  0.436804  0.719432  1
  Ni  Ni281  1  0.136122  0.449060  0.702392  1
  Ni  Ni282  1  0.729968  0.468884  0.684203  1
  Ni  Ni283  1  0.897449  0.890485  0.683623  1
  Ni  Ni284  1  0.490431  0.906703  0.664976  1
  Ni  Ni285  1  0.306504  0.873066  0.702301  1
  Ni  Ni286  1  0.302763  0.369628  0.702561  1
  Ni  Ni287  1  0.893390  0.386441  0.685114  1
  Ni  Ni288  1  0.487310  0.407773  0.665781  1
