# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.56251869
_cell_length_b   10.63450829
_cell_length_c   53.15607930
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.71425671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr90 Ni180'
_cell_volume   7042.24346655
_cell_formula_units_Z   90
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  0.057091  0.640201  0.304371  1
  Cr  Cr2  1  0.723758  0.640201  0.304371  1
  Cr  Cr3  1  1.000524  0.499055  0.334847  1
  Cr  Cr4  1  0.390424  0.640201  0.304371  1
  Cr  Cr5  1  0.667190  0.499055  0.334847  1
  Cr  Cr6  1  0.124194  0.768298  0.272793  1
  Cr  Cr7  1  0.333857  0.499055  0.334847  1
  Cr  Cr8  1  0.790860  0.768298  0.272793  1
  Cr  Cr9  1  0.457527  0.768298  0.272793  1
  Cr  Cr10  1  0.263507  0.200869  0.287419  1
  Cr  Cr11  1  0.930173  0.200869  0.287419  1
  Cr  Cr12  1  0.194958  0.070189  0.319152  1
  Cr  Cr13  1  0.596840  0.200869  0.287419  1
  Cr  Cr14  1  0.861625  0.070189  0.319152  1
  Cr  Cr15  1  0.137407  0.930193  0.349866  1
  Cr  Cr16  1  0.528291  0.070189  0.319152  1
  Cr  Cr17  1  0.804073  0.930193  0.349866  1
  Cr  Cr18  1  0.470740  0.930193  0.349866  1
  Cr  Cr19  1  0.879134  0.223507  0.395327  1
  Cr  Cr20  1  0.545801  0.223507  0.395327  1
  Cr  Cr21  1  0.818517  0.085810  0.425625  1
  Cr  Cr22  1  0.212468  0.223507  0.395327  1
  Cr  Cr23  1  0.485184  0.085810  0.425625  1
  Cr  Cr24  1  0.940424  0.361206  0.365197  1
  Cr  Cr25  1  0.151851  0.085810  0.425625  1
  Cr  Cr26  1  0.607091  0.361206  0.365197  1
  Cr  Cr27  1  0.273757  0.361206  0.365197  1
  Cr  Cr28  1  0.076204  0.792507  0.380226  1
  Cr  Cr29  1  0.742871  0.792507  0.380226  1
  Cr  Cr30  1  0.015536  0.654693  0.410518  1
  Cr  Cr31  1  0.409537  0.792507  0.380226  1
  Cr  Cr32  1  0.682202  0.654693  0.410518  1
  Cr  Cr33  1  0.954895  0.516872  0.440819  1
  Cr  Cr34  1  0.348869  0.654693  0.410518  1
  Cr  Cr35  1  0.621561  0.516872  0.440819  1
  Cr  Cr36  1  0.288228  0.516872  0.440819  1
  Cr  Cr37  1  0.697229  0.810147  0.486264  1
  Cr  Cr38  1  0.363896  0.810147  0.486264  1
  Cr  Cr39  1  0.636567  0.672294  0.516574  1
  Cr  Cr40  1  0.030562  0.810147  0.486264  1
  Cr  Cr41  1  0.303233  0.672294  0.516574  1
  Cr  Cr42  1  0.757863  0.948012  0.455947  1
  Cr  Cr43  1  0.969900  0.672294  0.516574  1
  Cr  Cr44  1  0.424529  0.948012  0.455947  1
  Cr  Cr45  1  0.091196  0.948012  0.455947  1
  Cr  Cr46  1  0.894235  0.379026  0.471121  1
  Cr  Cr47  1  0.560902  0.379026  0.471121  1
  Cr  Cr48  1  0.833573  0.241210  0.501424  1
  Cr  Cr49  1  0.227569  0.379026  0.471121  1
  Cr  Cr50  1  0.500240  0.241210  0.501424  1
  Cr  Cr51  1  0.772914  0.103392  0.531727  1
  Cr  Cr52  1  0.166906  0.241210  0.501424  1
  Cr  Cr53  1  0.439581  0.103392  0.531727  1
  Cr  Cr54  1  0.106248  0.103392  0.531727  1
  Cr  Cr55  1  0.515312  0.396605  0.577217  1
  Cr  Cr56  1  0.181979  0.396605  0.577217  1
  Cr  Cr57  1  0.454793  0.258732  0.607534  1
  Cr  Cr58  1  0.848646  0.396605  0.577217  1
  Cr  Cr59  1  0.121460  0.258732  0.607534  1
  Cr  Cr60  1  0.575927  0.534417  0.546891  1
  Cr  Cr61  1  0.788126  0.258732  0.607534  1
  Cr  Cr62  1  0.242594  0.534417  0.546891  1
  Cr  Cr63  1  0.909261  0.534417  0.546891  1
  Cr  Cr64  1  0.712243  0.965577  0.562032  1
  Cr  Cr65  1  0.378909  0.965577  0.562032  1
  Cr  Cr66  1  0.651628  0.827788  0.592328  1
  Cr  Cr67  1  0.045576  0.965577  0.562032  1
  Cr  Cr68  1  0.318295  0.827788  0.592328  1
  Cr  Cr69  1  0.590389  0.690246  0.622471  1
  Cr  Cr70  1  0.984962  0.827788  0.592328  1
  Cr  Cr71  1  0.257056  0.690246  0.622471  1
  Cr  Cr72  1  0.923723  0.690246  0.622471  1
  Cr  Cr73  1  0.332647  0.982915  0.668059  1
  Cr  Cr74  1  0.999314  0.982915  0.668059  1
  Cr  Cr75  1  0.272830  0.840751  0.698668  1
  Cr  Cr76  1  0.665980  0.982915  0.668059  1
  Cr  Cr77  1  0.939497  0.840751  0.698668  1
  Cr  Cr78  1  0.393335  0.121444  0.637768  1
  Cr  Cr79  1  0.606164  0.840751  0.698668  1
  Cr  Cr80  1  0.060001  0.121444  0.637768  1
  Cr  Cr81  1  0.726668  0.121444  0.637768  1
  Cr  Cr82  1  0.530727  0.551717  0.652979  1
  Cr  Cr83  1  0.197394  0.551717  0.652979  1
  Cr  Cr84  1  0.472886  0.412263  0.683758  1
  Cr  Cr85  1  0.864060  0.551717  0.652979  1
  Cr  Cr86  1  0.139552  0.412263  0.683758  1
  Cr  Cr87  1  0.403324  0.281923  0.715138  1
  Cr  Cr88  1  0.806219  0.412263  0.683758  1
  Cr  Cr89  1  0.069991  0.281923  0.715138  1
  Cr  Cr90  1  0.736657  0.281923  0.715138  1
  Ni  Ni91  1  0.197567  0.398143  0.319937  1
  Ni  Ni92  1  0.864233  0.398143  0.319937  1
  Ni  Ni93  1  0.138042  0.260547  0.349436  1
  Ni  Ni94  1  0.530900  0.398143  0.319937  1
  Ni  Ni95  1  0.804709  0.260547  0.349436  1
  Ni  Ni96  1  0.258187  0.531147  0.289185  1
  Ni  Ni97  1  0.471376  0.260547  0.349436  1
  Ni  Ni98  1  0.924854  0.531147  0.289185  1
  Ni  Ni99  1  0.591520  0.531147  0.289185  1
  Ni  Ni100  1  0.118998  0.445947  0.275421  1
  Ni  Ni101  1  0.785664  0.445947  0.275421  1
  Ni  Ni102  1  0.061132  0.306204  0.304942  1
  Ni  Ni103  1  0.452331  0.445947  0.275421  1
  Ni  Ni104  1  0.727798  0.306204  0.304942  1
  Ni  Ni105  1  0.998911  0.169712  0.335151  1
  Ni  Ni106  1  0.394465  0.306204  0.304942  1
  Ni  Ni107  1  0.665577  0.169712  0.335151  1
  Ni  Ni108  1  0.332244  0.169712  0.335151  1
  Ni  Ni109  1  1.001237  0.829781  0.334593  1
  Ni  Ni110  1  0.667904  0.829781  0.334593  1
  Ni  Ni111  1  0.940535  0.691838  0.364655  1
  Ni  Ni112  1  0.334570  0.829781  0.334593  1
  Ni  Ni113  1  0.607201  0.691838  0.364655  1
  Ni  Ni114  1  0.061307  0.966175  0.304817  1
  Ni  Ni115  1  0.273868  0.691838  0.364655  1
  Ni  Ni116  1  0.727974  0.966175  0.304817  1
  Ni  Ni117  1  0.394640  0.966175  0.304817  1
  Ni  Ni118  1  0.135622  0.599927  0.350302  1
  Ni  Ni119  1  0.802288  0.599927  0.350302  1
  Ni  Ni120  1  0.256131  0.877290  0.289704  1
  Ni  Ni121  1  0.468955  0.599927  0.350302  1
  Ni  Ni122  1  0.922797  0.877290  0.289704  1
  Ni  Ni123  1  0.196379  0.736517  0.320148  1
  Ni  Ni124  1  0.589464  0.877290  0.289704  1
  Ni  Ni125  1  0.863046  0.736517  0.320148  1
  Ni  Ni126  1  0.529712  0.736517  0.320148  1
  Ni  Ni127  1  0.016391  0.985388  0.409984  1
  Ni  Ni128  1  0.683057  0.985388  0.409984  1
  Ni  Ni129  1  0.955788  0.847494  0.440340  1
  Ni  Ni130  1  0.349724  0.985388  0.409984  1
  Ni  Ni131  1  0.622455  0.847494  0.440340  1
  Ni  Ni132  1  0.077091  0.122965  0.379649  1
  Ni  Ni133  1  0.289121  0.847494  0.440340  1
  Ni  Ni134  1  0.743758  0.122965  0.379649  1
  Ni  Ni135  1  0.410424  0.122965  0.379649  1
  Ni  Ni136  1  0.938877  0.031194  0.365307  1
  Ni  Ni137  1  0.605544  0.031194  0.365307  1
  Ni  Ni138  1  0.878324  0.893183  0.395782  1
  Ni  Ni139  1  0.272210  0.031194  0.365307  1
  Ni  Ni140  1  0.544990  0.893183  0.395782  1
  Ni  Ni141  1  0.817627  0.755320  0.426118  1
  Ni  Ni142  1  0.211657  0.893183  0.395782  1
  Ni  Ni143  1  0.484294  0.755320  0.426118  1
  Ni  Ni144  1  0.150960  0.755320  0.426118  1
  Ni  Ni145  1  0.819494  0.416241  0.425210  1
  Ni  Ni146  1  0.486161  0.416241  0.425210  1
  Ni  Ni147  1  0.758823  0.278446  0.455506  1
  Ni  Ni148  1  0.152827  0.416241  0.425210  1
  Ni  Ni149  1  0.425490  0.278446  0.455506  1
  Ni  Ni150  1  0.880045  0.554201  0.394918  1
  Ni  Ni151  1  0.092157  0.278446  0.455506  1
  Ni  Ni152  1  0.546712  0.554201  0.394918  1
  Ni  Ni153  1  0.213379  0.554201  0.394918  1
  Ni  Ni154  1  0.953957  0.186294  0.441268  1
  Ni  Ni155  1  0.620624  0.186294  0.441268  1
  Ni  Ni156  1  0.075467  0.461931  0.380674  1
  Ni  Ni157  1  0.287291  0.186294  0.441268  1
  Ni  Ni158  1  0.742134  0.461931  0.380674  1
  Ni  Ni159  1  0.014679  0.324065  0.410995  1
  Ni  Ni160  1  0.408801  0.461931  0.380674  1
  Ni  Ni161  1  0.681346  0.324065  0.410995  1
  Ni  Ni162  1  0.348012  0.324065  0.410995  1
  Ni  Ni163  1  0.834489  0.571752  0.500965  1
  Ni  Ni164  1  0.501155  0.571752  0.500965  1
  Ni  Ni165  1  0.773840  0.433917  0.531274  1
  Ni  Ni166  1  0.167822  0.571752  0.500965  1
  Ni  Ni167  1  0.440506  0.433917  0.531274  1
  Ni  Ni168  1  0.895140  0.709616  0.470656  1
  Ni  Ni169  1  0.107173  0.433917  0.531274  1
  Ni  Ni170  1  0.561807  0.709616  0.470656  1
  Ni  Ni171  1  0.228474  0.709616  0.470656  1
  Ni  Ni172  1  0.756982  0.617425  0.456425  1
  Ni  Ni173  1  0.423649  0.617425  0.456425  1
  Ni  Ni174  1  0.696323  0.479575  0.486733  1
  Ni  Ni175  1  0.090315  0.617425  0.456425  1
  Ni  Ni176  1  0.362990  0.479575  0.486733  1
  Ni  Ni177  1  0.635669  0.341745  0.517041  1
  Ni  Ni178  1  0.029657  0.479575  0.486733  1
  Ni  Ni179  1  0.302335  0.341745  0.517041  1
  Ni  Ni180  1  0.969002  0.341745  0.517041  1
  Ni  Ni181  1  0.637484  0.002859  0.516110  1
  Ni  Ni182  1  0.304151  0.002859  0.516110  1
  Ni  Ni183  1  0.576821  0.865025  0.546415  1
  Ni  Ni184  1  0.970817  0.002859  0.516110  1
  Ni  Ni185  1  0.243488  0.865025  0.546415  1
  Ni  Ni186  1  0.698145  0.140669  0.485804  1
  Ni  Ni187  1  0.910154  0.865025  0.546415  1
  Ni  Ni188  1  0.364812  0.140669  0.485804  1
  Ni  Ni189  1  0.031479  0.140669  0.485804  1
  Ni  Ni190  1  0.771975  0.772850  0.532180  1
  Ni  Ni191  1  0.438642  0.772850  0.532180  1
  Ni  Ni192  1  0.893297  0.048504  0.471571  1
  Ni  Ni193  1  0.105308  0.772850  0.532180  1
  Ni  Ni194  1  0.559964  0.048504  0.471571  1
  Ni  Ni195  1  0.832645  0.910686  0.501877  1
  Ni  Ni196  1  0.226630  0.048504  0.471571  1
  Ni  Ni197  1  0.499311  0.910686  0.501877  1
  Ni  Ni198  1  0.165978  0.910686  0.501877  1
  Ni  Ni199  1  0.652490  0.158352  0.591868  1
  Ni  Ni200  1  0.319157  0.158352  0.591868  1
  Ni  Ni201  1  0.591607  0.020550  0.622203  1
  Ni  Ni202  1  0.985824  0.158352  0.591868  1
  Ni  Ni203  1  0.258274  0.020550  0.622203  1
  Ni  Ni204  1  0.713214  0.296089  0.561582  1
  Ni  Ni205  1  0.924940  0.020550  0.622203  1
  Ni  Ni206  1  0.379881  0.296089  0.561582  1
  Ni  Ni207  1  0.046547  0.296089  0.561582  1
  Ni  Ni208  1  0.575003  0.203956  0.547345  1
  Ni  Ni209  1  0.241669  0.203956  0.547345  1
  Ni  Ni210  1  0.514330  0.066156  0.577647  1
  Ni  Ni211  1  0.908336  0.203956  0.547345  1
  Ni  Ni212  1  0.180997  0.066156  0.577647  1
  Ni  Ni213  1  0.453611  0.928582  0.607956  1
  Ni  Ni214  1  0.847664  0.066156  0.577647  1
  Ni  Ni215  1  0.120278  0.928582  0.607956  1
  Ni  Ni216  1  0.786945  0.928582  0.607956  1
  Ni  Ni217  1  0.455439  0.589186  0.607080  1
  Ni  Ni218  1  0.122106  0.589186  0.607080  1
  Ni  Ni219  1  0.395370  0.450866  0.637480  1
  Ni  Ni220  1  0.788772  0.589186  0.607080  1
  Ni  Ni221  1  0.062037  0.450866  0.637480  1
  Ni  Ni222  1  0.516097  0.727185  0.576697  1
  Ni  Ni223  1  0.728704  0.450866  0.637480  1
  Ni  Ni224  1  0.182764  0.727185  0.576697  1
  Ni  Ni225  1  0.849431  0.727185  0.576697  1
  Ni  Ni226  1  0.590284  0.359223  0.623195  1
  Ni  Ni227  1  0.256951  0.359223  0.623195  1
  Ni  Ni228  1  0.711334  0.634960  0.562497  1
  Ni  Ni229  1  0.923618  0.359223  0.623195  1
  Ni  Ni230  1  0.378001  0.634960  0.562497  1
  Ni  Ni231  1  0.650807  0.496935  0.592839  1
  Ni  Ni232  1  0.044668  0.634960  0.562497  1
  Ni  Ni233  1  0.317474  0.496935  0.592839  1
  Ni  Ni234  1  0.984140  0.496935  0.592839  1
  Ni  Ni235  1  0.470073  0.746002  0.682652  1
  Ni  Ni236  1  0.136739  0.746002  0.682652  1
  Ni  Ni237  1  0.410731  0.608515  0.712671  1
  Ni  Ni238  1  0.803406  0.746002  0.682652  1
  Ni  Ni239  1  0.077398  0.608515  0.712671  1
  Ni  Ni240  1  0.531283  0.882248  0.652553  1
  Ni  Ni241  1  0.744065  0.608515  0.712671  1
  Ni  Ni242  1  0.197950  0.882248  0.652553  1
  Ni  Ni243  1  0.864617  0.882248  0.652553  1
  Ni  Ni244  1  0.393212  0.790932  0.638152  1
  Ni  Ni245  1  0.059879  0.790932  0.638152  1
  Ni  Ni246  1  0.334019  0.652204  0.667502  1
  Ni  Ni247  1  0.726546  0.790932  0.638152  1
  Ni  Ni248  1  1.000685  0.652204  0.667502  1
  Ni  Ni249  1  0.271558  0.522590  0.698794  1
  Ni  Ni250  1  0.667352  0.652204  0.667502  1
  Ni  Ni251  1  0.938225  0.522590  0.698794  1
  Ni  Ni252  1  0.604891  0.522590  0.698794  1
  Ni  Ni253  1  0.273619  0.175311  0.697826  1
  Ni  Ni254  1  0.940286  0.175311  0.697826  1
  Ni  Ni255  1  0.214438  0.039477  0.727028  1
  Ni  Ni256  1  0.606953  0.175311  0.697826  1
  Ni  Ni257  1  0.881105  0.039477  0.727028  1
  Ni  Ni258  1  0.334784  0.313997  0.667853  1
  Ni  Ni259  1  0.547771  0.039477  0.727028  1
  Ni  Ni260  1  1.001450  0.313997  0.667853  1
  Ni  Ni261  1  0.668117  0.313997  0.667853  1
  Ni  Ni262  1  0.409843  0.946489  0.713838  1
  Ni  Ni263  1  0.076510  0.946489  0.713838  1
  Ni  Ni264  1  0.529150  0.221836  0.653477  1
  Ni  Ni265  1  0.743177  0.946489  0.713838  1
  Ni  Ni266  1  0.195816  0.221836  0.653477  1
  Ni  Ni267  1  0.469177  0.083694  0.682939  1
  Ni  Ni268  1  0.862483  0.221836  0.653477  1
  Ni  Ni269  1  0.135844  0.083694  0.682939  1
  Ni  Ni270  1  0.802511  0.083694  0.682939  1
