# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43049073
_cell_length_b   22.74102555
_cell_length_c   46.95250783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.23498055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr108 Ni216'
_cell_volume   8977.0628517
_cell_formula_units_Z   108
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  0.178791  0.572517  0.308481  1
  Cr  Cr2  1  0.845458  0.239184  0.308481  1
  Cr  Cr3  1  0.915821  0.564160  0.333839  1
  Cr  Cr4  1  0.444951  0.574933  0.284170  1
  Cr  Cr5  1  0.512125  0.905850  0.308481  1
  Cr  Cr6  1  0.582488  0.230827  0.333839  1
  Cr  Cr7  1  0.111617  0.241600  0.284170  1
  Cr  Cr8  1  0.249154  0.897493  0.333839  1
  Cr  Cr9  1  0.778284  0.908266  0.284170  1
  Cr  Cr10  1  0.978768  0.742946  0.295198  1
  Cr  Cr11  1  0.645434  0.409612  0.295198  1
  Cr  Cr12  1  0.716516  0.735597  0.320065  1
  Cr  Cr13  1  0.448819  0.727238  0.345731  1
  Cr  Cr14  1  0.312101  0.076279  0.295198  1
  Cr  Cr15  1  0.383183  0.402264  0.320065  1
  Cr  Cr16  1  0.115485  0.393905  0.345731  1
  Cr  Cr17  1  0.049849  0.068931  0.320065  1
  Cr  Cr18  1  0.782152  0.060572  0.345731  1
  Cr  Cr19  1  0.378530  0.549260  0.381371  1
  Cr  Cr20  1  0.045197  0.215927  0.381371  1
  Cr  Cr21  1  0.109507  0.542128  0.404905  1
  Cr  Cr22  1  0.647292  0.556706  0.357775  1
  Cr  Cr23  1  0.711863  0.882593  0.381371  1
  Cr  Cr24  1  0.776174  0.208795  0.404905  1
  Cr  Cr25  1  0.313959  0.223372  0.357775  1
  Cr  Cr26  1  0.442840  0.875462  0.404905  1
  Cr  Cr27  1  0.980625  0.890039  0.357775  1
  Cr  Cr28  1  0.180035  0.719740  0.369569  1
  Cr  Cr29  1  0.846702  0.386406  0.369569  1
  Cr  Cr30  1  0.911120  0.712354  0.393391  1
  Cr  Cr31  1  0.641978  0.705127  0.416830  1
  Cr  Cr32  1  0.513368  0.053073  0.369569  1
  Cr  Cr33  1  0.577787  0.379020  0.393391  1
  Cr  Cr34  1  0.308645  0.371794  0.416830  1
  Cr  Cr35  1  0.244454  0.045687  0.393391  1
  Cr  Cr36  1  0.975312  0.038461  0.416830  1
  Cr  Cr37  1  0.572661  0.527452  0.452534  1
  Cr  Cr38  1  0.239328  0.194118  0.452534  1
  Cr  Cr39  1  0.304307  0.520064  0.476380  1
  Cr  Cr40  1  0.841014  0.534813  0.428680  1
  Cr  Cr41  1  0.905994  0.860785  0.452534  1
  Cr  Cr42  1  0.970973  0.186731  0.476380  1
  Cr  Cr43  1  0.507680  0.201479  0.428680  1
  Cr  Cr44  1  0.637640  0.853398  0.476380  1
  Cr  Cr45  1  0.174347  0.868146  0.428680  1
  Cr  Cr46  1  0.373556  0.697784  0.440623  1
  Cr  Cr47  1  0.040222  0.364451  0.440623  1
  Cr  Cr48  1  0.105080  0.690411  0.464449  1
  Cr  Cr49  1  0.836743  0.683045  0.488287  1
  Cr  Cr50  1  0.706889  0.031117  0.440623  1
  Cr  Cr51  1  0.771747  0.357078  0.464449  1
  Cr  Cr52  1  0.503409  0.349712  0.488287  1
  Cr  Cr53  1  0.438414  0.023745  0.464449  1
  Cr  Cr54  1  0.170076  0.016378  0.488287  1
  Cr  Cr55  1  0.767429  0.505344  0.523989  1
  Cr  Cr56  1  0.434096  0.172011  0.523989  1
  Cr  Cr57  1  0.499167  0.497941  0.547878  1
  Cr  Cr58  1  0.035862  0.512703  0.500185  1
  Cr  Cr59  1  0.100762  0.838678  0.523989  1
  Cr  Cr60  1  0.165834  0.164608  0.547878  1
  Cr  Cr61  1  0.702529  0.179370  0.500185  1
  Cr  Cr62  1  0.832500  0.831274  0.547878  1
  Cr  Cr63  1  0.369195  0.846036  0.500185  1
  Cr  Cr64  1  0.568293  0.675696  0.512078  1
  Cr  Cr65  1  0.234960  0.342363  0.512078  1
  Cr  Cr66  1  0.300003  0.668316  0.535936  1
  Cr  Cr67  1  0.031620  0.660909  0.559788  1
  Cr  Cr68  1  0.901626  0.009029  0.512078  1
  Cr  Cr69  1  0.966669  0.334982  0.535936  1
  Cr  Cr70  1  0.698286  0.327576  0.559788  1
  Cr  Cr71  1  0.633336  0.001649  0.535936  1
  Cr  Cr72  1  0.364953  0.994243  0.559788  1
  Cr  Cr73  1  0.962231  0.483288  0.595520  1
  Cr  Cr74  1  0.628898  0.149955  0.595520  1
  Cr  Cr75  1  0.692996  0.476340  0.618814  1
  Cr  Cr76  1  0.230807  0.490561  0.571754  1
  Cr  Cr77  1  0.295565  0.816621  0.595520  1
  Cr  Cr78  1  0.359663  0.143006  0.618814  1
  Cr  Cr79  1  0.897474  0.157227  0.571754  1
  Cr  Cr80  1  0.026329  0.809673  0.618814  1
  Cr  Cr81  1  0.564141  0.823894  0.571754  1
  Cr  Cr82  1  0.763164  0.653559  0.583613  1
  Cr  Cr83  1  0.429831  0.320226  0.583613  1
  Cr  Cr84  1  0.494010  0.646374  0.607018  1
  Cr  Cr85  1  0.225055  0.638968  0.630586  1
  Cr  Cr86  1  0.096498  0.986892  0.583613  1
  Cr  Cr87  1  0.160677  0.313041  0.607018  1
  Cr  Cr88  1  0.891722  0.305635  0.630586  1
  Cr  Cr89  1  0.827343  0.979708  0.607018  1
  Cr  Cr90  1  0.558388  0.972302  0.630586  1
  Cr  Cr91  1  0.153168  0.461208  0.666693  1
  Cr  Cr92  1  0.819834  0.127874  0.666693  1
  Cr  Cr93  1  0.884837  0.452831  0.692936  1
  Cr  Cr94  1  0.423612  0.468864  0.642354  1
  Cr  Cr95  1  0.486501  0.794541  0.666693  1
  Cr  Cr96  1  0.551504  0.119498  0.692936  1
  Cr  Cr97  1  0.090278  0.135530  0.642354  1
  Cr  Cr98  1  0.218171  0.786164  0.692936  1
  Cr  Cr99  1  0.756945  0.802197  0.642354  1
  Cr  Cr100  1  0.956459  0.631566  0.654450  1
  Cr  Cr101  1  0.623126  0.298233  0.654450  1
  Cr  Cr102  1  0.689690  0.623444  0.680306  1
  Cr  Cr103  1  0.426951  0.615915  0.705179  1
  Cr  Cr104  1  0.289792  0.964899  0.654450  1
  Cr  Cr105  1  0.356356  0.290111  0.680306  1
  Cr  Cr106  1  0.093617  0.282582  0.705179  1
  Cr  Cr107  1  0.023023  0.956777  0.680306  1
  Cr  Cr108  1  0.760284  0.949248  0.705179  1
  Ni  Ni109  1  0.007406  0.851133  0.306493  1
  Ni  Ni110  1  0.674073  0.517800  0.306493  1
  Ni  Ni111  1  0.736997  0.842119  0.329826  1
  Ni  Ni112  1  0.468236  0.834474  0.353293  1
  Ni  Ni113  1  0.340740  0.184466  0.306493  1
  Ni  Ni114  1  0.403663  0.508786  0.329826  1
  Ni  Ni115  1  0.134903  0.501140  0.353293  1
  Ni  Ni116  1  0.070330  0.175452  0.329826  1
  Ni  Ni117  1  0.801570  0.167807  0.353293  1
  Ni  Ni118  1  0.226344  0.790355  0.325287  1
  Ni  Ni119  1  0.893010  0.457021  0.325287  1
  Ni  Ni120  1  0.958818  0.782657  0.349435  1
  Ni  Ni121  1  0.493401  0.797951  0.302127  1
  Ni  Ni122  1  0.559677  0.123688  0.325287  1
  Ni  Ni123  1  0.625484  0.449324  0.349435  1
  Ni  Ni124  1  0.160068  0.464617  0.302127  1
  Ni  Ni125  1  0.292151  0.115991  0.349435  1
  Ni  Ni126  1  0.826735  0.131284  0.302127  1
  Ni  Ni127  1  0.202318  0.679644  0.317499  1
  Ni  Ni128  1  0.868985  0.346311  0.317499  1
  Ni  Ni129  1  0.935185  0.672164  0.341547  1
  Ni  Ni130  1  0.467404  0.686018  0.294554  1
  Ni  Ni131  1  0.535652  0.012978  0.317499  1
  Ni  Ni132  1  0.601852  0.338831  0.341547  1
  Ni  Ni133  1  0.134070  0.352684  0.294554  1
  Ni  Ni134  1  0.268518  0.005497  0.341547  1
  Ni  Ni135  1  0.800737  0.019351  0.294554  1
  Ni  Ni136  1  0.954342  0.632347  0.291316  1
  Ni  Ni137  1  0.621008  0.299014  0.291316  1
  Ni  Ni138  1  0.689879  0.627919  0.314059  1
  Ni  Ni139  1  0.424089  0.619939  0.337654  1
  Ni  Ni140  1  0.287675  0.965681  0.291316  1
  Ni  Ni141  1  0.356546  0.294586  0.314059  1
  Ni  Ni142  1  0.090756  0.286606  0.337654  1
  Ni  Ni143  1  0.023213  0.961253  0.314059  1
  Ni  Ni144  1  0.757423  0.953273  0.337654  1
  Ni  Ni145  1  0.200225  0.826688  0.377110  1
  Ni  Ni146  1  0.866891  0.493355  0.377110  1
  Ni  Ni147  1  0.931891  0.819437  0.400883  1
  Ni  Ni148  1  0.663436  0.812205  0.424680  1
  Ni  Ni149  1  0.533558  0.160021  0.377110  1
  Ni  Ni150  1  0.598557  0.486104  0.400883  1
  Ni  Ni151  1  0.330103  0.478871  0.424680  1
  Ni  Ni152  1  0.265224  0.152770  0.400883  1
  Ni  Ni153  1  0.996769  0.145538  0.424680  1
  Ni  Ni154  1  0.422056  0.768370  0.397153  1
  Ni  Ni155  1  0.088723  0.435037  0.397153  1
  Ni  Ni156  1  0.153379  0.760991  0.421052  1
  Ni  Ni157  1  0.690571  0.775427  0.373157  1
  Ni  Ni158  1  0.755389  0.101704  0.397153  1
  Ni  Ni159  1  0.820046  0.427658  0.421052  1
  Ni  Ni160  1  0.357238  0.442094  0.373157  1
  Ni  Ni161  1  0.486713  0.094324  0.421052  1
  Ni  Ni162  1  0.023904  0.108761  0.373157  1
  Ni  Ni163  1  0.399772  0.656461  0.388951  1
  Ni  Ni164  1  0.066438  0.323128  0.388951  1
  Ni  Ni165  1  0.131226  0.649146  0.412821  1
  Ni  Ni166  1  0.667834  0.664190  0.364972  1
  Ni  Ni167  1  0.733105  0.989794  0.388951  1
  Ni  Ni168  1  0.797892  0.315812  0.412821  1
  Ni  Ni169  1  0.334501  0.330857  0.364972  1
  Ni  Ni170  1  0.464559  0.982479  0.412821  1
  Ni  Ni171  1  1.001168  0.997524  0.364972  1
  Ni  Ni172  1  0.157935  0.612865  0.361358  1
  Ni  Ni173  1  0.824602  0.279531  0.361358  1
  Ni  Ni174  1  0.889396  0.605448  0.385147  1
  Ni  Ni175  1  0.620920  0.598070  0.409064  1
  Ni  Ni176  1  0.491268  0.946198  0.361358  1
  Ni  Ni177  1  0.556062  0.272115  0.385147  1
  Ni  Ni178  1  0.287587  0.264736  0.409064  1
  Ni  Ni179  1  0.222729  0.938782  0.385147  1
  Ni  Ni180  1  0.954253  0.931403  0.409064  1
  Ni  Ni181  1  0.395016  0.804943  0.448497  1
  Ni  Ni182  1  0.061683  0.471610  0.448497  1
  Ni  Ni183  1  0.126535  0.797582  0.472312  1
  Ni  Ni184  1  0.858088  0.790205  0.496132  1
  Ni  Ni185  1  0.728350  0.138277  0.448497  1
  Ni  Ni186  1  0.793201  0.464249  0.472312  1
  Ni  Ni187  1  0.524754  0.456871  0.496132  1
  Ni  Ni188  1  0.459868  0.130915  0.472312  1
  Ni  Ni189  1  0.191421  0.123538  0.496132  1
  Ni  Ni190  1  0.616181  0.746252  0.468567  1
  Ni  Ni191  1  0.282847  0.412918  0.468567  1
  Ni  Ni192  1  0.347820  0.738886  0.492366  1
  Ni  Ni193  1  0.884602  0.753635  0.444833  1
  Ni  Ni194  1  0.949514  0.079585  0.468567  1
  Ni  Ni195  1  0.014487  0.405553  0.492366  1
  Ni  Ni196  1  0.551268  0.420302  0.444833  1
  Ni  Ni197  1  0.681154  0.072220  0.492366  1
  Ni  Ni198  1  0.217935  0.086968  0.444833  1
  Ni  Ni199  1  0.594033  0.634589  0.460406  1
  Ni  Ni200  1  0.260700  0.301255  0.460406  1
  Ni  Ni201  1  0.325590  0.627221  0.484212  1
  Ni  Ni202  1  0.862504  0.641867  0.436626  1
  Ni  Ni203  1  0.927367  0.967922  0.460406  1
  Ni  Ni204  1  0.992257  0.293887  0.484212  1
  Ni  Ni205  1  0.529171  0.308534  0.436626  1
  Ni  Ni206  1  0.658924  0.960554  0.484212  1
  Ni  Ni207  1  0.195838  0.975200  0.436626  1
  Ni  Ni208  1  0.352253  0.590611  0.432890  1
  Ni  Ni209  1  0.018919  0.257278  0.432890  1
  Ni  Ni210  1  0.083753  0.583233  0.456662  1
  Ni  Ni211  1  0.815360  0.575891  0.480460  1
  Ni  Ni212  1  0.685586  0.923945  0.432890  1
  Ni  Ni213  1  0.750419  0.249899  0.456662  1
  Ni  Ni214  1  0.482026  0.242558  0.480460  1
  Ni  Ni215  1  0.417086  0.916566  0.456662  1
  Ni  Ni216  1  0.148693  0.909224  0.480460  1
  Ni  Ni217  1  0.589738  0.782852  0.519936  1
  Ni  Ni218  1  0.256404  0.449519  0.519936  1
  Ni  Ni219  1  0.321389  0.775512  0.543724  1
  Ni  Ni220  1  0.052891  0.768121  0.567444  1
  Ni  Ni221  1  0.923071  0.116186  0.519936  1
  Ni  Ni222  1  0.988056  0.442178  0.543724  1
  Ni  Ni223  1  0.719558  0.434787  0.567444  1
  Ni  Ni224  1  0.654722  0.108845  0.543724  1
  Ni  Ni225  1  0.386224  0.101454  0.567444  1
  Ni  Ni226  1  0.811027  0.724112  0.539971  1
  Ni  Ni227  1  0.477694  0.390779  0.539971  1
  Ni  Ni228  1  0.542535  0.716843  0.563758  1
  Ni  Ni229  1  0.079489  0.731498  0.516172  1
  Ni  Ni230  1  0.144360  0.057445  0.539971  1
  Ni  Ni231  1  0.209201  0.383510  0.563758  1
  Ni  Ni232  1  0.746155  0.398165  0.516172  1
  Ni  Ni233  1  0.875868  0.050176  0.563758  1
  Ni  Ni234  1  0.412822  0.064831  0.516172  1
  Ni  Ni235  1  0.788940  0.612502  0.531821  1
  Ni  Ni236  1  0.455607  0.279169  0.531821  1
  Ni  Ni237  1  0.520529  0.605113  0.555552  1
  Ni  Ni238  1  0.057268  0.619847  0.508025  1
  Ni  Ni239  1  0.122273  0.945835  0.531821  1
  Ni  Ni240  1  0.187195  0.271779  0.555552  1
  Ni  Ni241  1  0.723934  0.286514  0.508025  1
  Ni  Ni242  1  0.853862  0.938446  0.555552  1
  Ni  Ni243  1  0.390601  0.953181  0.508025  1
  Ni  Ni244  1  0.546981  0.568528  0.504263  1
  Ni  Ni245  1  0.213648  0.235195  0.504263  1
  Ni  Ni246  1  0.278567  0.561126  0.528074  1
  Ni  Ni247  1  0.010089  0.553761  0.551891  1
  Ni  Ni248  1  0.880314  0.901861  0.504263  1
  Ni  Ni249  1  0.945233  0.227792  0.528074  1
  Ni  Ni250  1  0.676755  0.220428  0.551891  1
  Ni  Ni251  1  0.611900  0.894459  0.528074  1
  Ni  Ni252  1  0.343422  0.887095  0.551891  1
  Ni  Ni253  1  0.783972  0.760633  0.591251  1
  Ni  Ni254  1  0.450638  0.427299  0.591251  1
  Ni  Ni255  1  0.515331  0.753300  0.615257  1
  Ni  Ni256  1  0.246831  0.746009  0.639167  1
  Ni  Ni257  1  0.117305  0.093966  0.591251  1
  Ni  Ni258  1  0.181998  0.419966  0.615257  1
  Ni  Ni259  1  0.913498  0.412675  0.639167  1
  Ni  Ni260  1  0.848665  0.086633  0.615257  1
  Ni  Ni261  1  0.580165  0.079342  0.639167  1
  Ni  Ni262  1  0.005352  0.702395  0.611321  1
  Ni  Ni263  1  0.672019  0.369061  0.611321  1
  Ni  Ni264  1  0.737173  0.694640  0.635350  1
  Ni  Ni265  1  0.273902  0.709651  0.587571  1
  Ni  Ni266  1  0.338686  0.035728  0.611321  1
  Ni  Ni267  1  0.403840  0.361307  0.635350  1
  Ni  Ni268  1  0.940569  0.376318  0.587571  1
  Ni  Ni269  1  0.070506  0.027973  0.635350  1
  Ni  Ni270  1  0.607235  0.042984  0.587571  1
  Ni  Ni271  1  0.982840  0.590283  0.603286  1
  Ni  Ni272  1  0.649507  0.256950  0.603286  1
  Ni  Ni273  1  0.714332  0.583162  0.627400  1
  Ni  Ni274  1  0.251696  0.597701  0.579307  1
  Ni  Ni275  1  0.316174  0.923617  0.603286  1
  Ni  Ni276  1  0.380998  0.249829  0.627400  1
  Ni  Ni277  1  0.918362  0.264368  0.579307  1
  Ni  Ni278  1  0.047665  0.916496  0.627400  1
  Ni  Ni279  1  0.585029  0.931035  0.579307  1
  Ni  Ni280  1  0.741702  0.546578  0.575686  1
  Ni  Ni281  1  0.408369  0.213245  0.575686  1
  Ni  Ni282  1  0.473164  0.539368  0.599510  1
  Ni  Ni283  1  0.204517  0.531994  0.623335  1
  Ni  Ni284  1  0.075035  0.879912  0.575686  1
  Ni  Ni285  1  0.139831  0.206035  0.599510  1
  Ni  Ni286  1  0.871183  0.198661  0.623335  1
  Ni  Ni287  1  0.806497  0.872702  0.599510  1
  Ni  Ni288  1  0.537850  0.865327  0.623335  1
  Ni  Ni289  1  0.980648  0.739224  0.662166  1
  Ni  Ni290  1  0.647315  0.405890  0.662166  1
  Ni  Ni291  1  0.714334  0.731229  0.685955  1
  Ni  Ni292  1  0.449312  0.726650  0.708776  1
  Ni  Ni293  1  0.313982  0.072557  0.662166  1
  Ni  Ni294  1  0.381001  0.397896  0.685955  1
  Ni  Ni295  1  0.115979  0.393317  0.708776  1
  Ni  Ni296  1  0.047667  0.064563  0.685955  1
  Ni  Ni297  1  0.782645  0.059984  0.708776  1
  Ni  Ni298  1  0.205318  0.677728  0.682073  1
  Ni  Ni299  1  0.871985  0.344395  0.682073  1
  Ni  Ni300  1  0.940560  0.677904  0.705401  1
  Ni  Ni301  1  0.470350  0.686754  0.658747  1
  Ni  Ni302  1  0.538652  0.011062  0.682073  1
  Ni  Ni303  1  0.607227  0.344571  0.705401  1
  Ni  Ni304  1  0.137017  0.353421  0.658747  1
  Ni  Ni305  1  0.273893  0.011238  0.705401  1
  Ni  Ni306  1  0.803683  0.020087  0.658747  1
  Ni  Ni307  1  0.181048  0.567749  0.675028  1
  Ni  Ni308  1  0.847714  0.234416  0.675028  1
  Ni  Ni309  1  0.917449  0.563837  0.697983  1
  Ni  Ni310  1  0.446958  0.575943  0.651092  1
  Ni  Ni311  1  0.514381  0.901083  0.675028  1
  Ni  Ni312  1  0.584116  0.230504  0.697983  1
  Ni  Ni313  1  0.113625  0.242609  0.651092  1
  Ni  Ni314  1  0.250783  0.897170  0.697983  1
  Ni  Ni315  1  0.780292  0.909276  0.651092  1
  Ni  Ni316  1  0.936033  0.524083  0.647379  1
  Ni  Ni317  1  0.602700  0.190750  0.647379  1
  Ni  Ni318  1  0.668587  0.516309  0.671220  1
  Ni  Ni319  1  0.401748  0.506633  0.693951  1
  Ni  Ni320  1  0.269367  0.857417  0.647379  1
  Ni  Ni321  1  0.335254  0.182976  0.671220  1
  Ni  Ni322  1  0.068414  0.173300  0.693951  1
  Ni  Ni323  1  1.001920  0.849643  0.671220  1
  Ni  Ni324  1  0.735081  0.839966  0.693951  1
