# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49489390
_cell_length_b   12.34546521
_cell_length_c   46.16364788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr54 Ni108'
_cell_volume   4271.42779082
_cell_formula_units_Z   54
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  -0.000005  0.809466  0.309190  1
  Cr  Cr2  1  0.999995  0.552211  0.278669  1
  Cr  Cr3  1  0.999995  0.176980  0.293659  1
  Cr  Cr4  1  0.499995  0.639179  0.321462  1
  Cr  Cr5  1  0.499995  0.357943  0.285639  1
  Cr  Cr6  1  0.499995  0.995332  0.301837  1
  Cr  Cr7  1  -0.000005  0.736000  0.361893  1
  Cr  Cr8  1  0.999995  0.459137  0.328982  1
  Cr  Cr9  1  0.999995  0.097990  0.345142  1
  Cr  Cr10  1  0.499995  0.554715  0.370937  1
  Cr  Cr11  1  0.499995  0.277823  0.336945  1
  Cr  Cr12  1  0.499995  0.915395  0.353139  1
  Cr  Cr13  1  -0.000005  0.652523  0.412266  1
  Cr  Cr14  1  0.999995  0.373394  0.378811  1
  Cr  Cr15  1  0.999995  0.012794  0.395119  1
  Cr  Cr16  1  0.499995  0.471140  0.420684  1
  Cr  Cr17  1  0.499995  0.193148  0.386899  1
  Cr  Cr18  1  0.499995  0.832911  0.403657  1
  Cr  Cr19  1  -0.000005  0.568770  0.462282  1
  Cr  Cr20  1  -0.000005  0.290231  0.428769  1
  Cr  Cr21  1  0.999995  0.929579  0.445315  1
  Cr  Cr22  1  0.499995  0.387973  0.470594  1
  Cr  Cr23  1  0.499995  0.109611  0.436909  1
  Cr  Cr24  1  0.499995  0.749368  0.453820  1
  Cr  Cr25  1  0.999995  0.485403  0.512313  1
  Cr  Cr26  1  -0.000005  0.207212  0.478761  1
  Cr  Cr27  1  0.999995  0.846260  0.495437  1
  Cr  Cr28  1  0.499995  0.304858  0.520573  1
  Cr  Cr29  1  0.499995  0.026667  0.487021  1
  Cr  Cr30  1  0.499995  0.665810  0.503896  1
  Cr  Cr31  1  0.999995  0.402460  0.562425  1
  Cr  Cr32  1  -0.000005  0.124097  0.528740  1
  Cr  Cr33  1  0.999995  0.762702  0.545514  1
  Cr  Cr34  1  0.499995  0.221839  0.570565  1
  Cr  Cr35  1  0.499995  0.943300  0.537052  1
  Cr  Cr36  1  0.499995  0.582491  0.554019  1
  Cr  Cr37  1  0.999995  0.318922  0.612435  1
  Cr  Cr38  1  -0.000005  0.040930  0.578650  1
  Cr  Cr39  1  0.999995  0.679159  0.595677  1
  Cr  Cr40  1  0.499995  0.138676  0.620523  1
  Cr  Cr41  1  0.499995  0.859547  0.587068  1
  Cr  Cr42  1  0.499995  0.499276  0.604215  1
  Cr  Cr43  1  0.999995  0.234247  0.662389  1
  Cr  Cr44  1  -0.000005  0.957356  0.628397  1
  Cr  Cr45  1  0.999995  0.596675  0.646195  1
  Cr  Cr46  1  0.499995  0.052933  0.670352  1
  Cr  Cr47  1  0.499995  0.776071  0.637441  1
  Cr  Cr48  1  0.499995  0.414080  0.654192  1
  Cr  Cr49  1  0.999995  0.154127  0.713695  1
  Cr  Cr50  1  -0.000005  0.872892  0.677872  1
  Cr  Cr51  1  0.999995  0.516738  0.697497  1
  Cr  Cr52  1  0.499995  0.959859  0.720664  1
  Cr  Cr53  1  0.499995  0.702604  0.690144  1
  Cr  Cr54  1  0.499995  0.335090  0.705675  1
  Ni  Ni55  1  0.170712  0.636314  0.321838  1
  Ni  Ni56  1  0.168132  0.362137  0.287889  1
  Ni  Ni57  1  0.168574  0.995899  0.304146  1
  Ni  Ni58  1  0.330834  0.814720  0.312016  1
  Ni  Ni59  1  0.332767  0.542547  0.280829  1
  Ni  Ni60  1  0.330139  0.178372  0.295975  1
  Ni  Ni61  1  0.669156  0.814720  0.312016  1
  Ni  Ni62  1  0.667223  0.542547  0.280829  1
  Ni  Ni63  1  0.669851  0.178372  0.295975  1
  Ni  Ni64  1  0.829278  0.636314  0.321838  1
  Ni  Ni65  1  0.831858  0.362137  0.287889  1
  Ni  Ni66  1  0.831416  0.995899  0.304146  1
  Ni  Ni67  1  0.171454  0.554261  0.370995  1
  Ni  Ni68  1  0.170904  0.276655  0.336968  1
  Ni  Ni69  1  0.170160  0.914436  0.353197  1
  Ni  Ni70  1  0.328169  0.735725  0.362427  1
  Ni  Ni71  1  0.329547  0.456468  0.329313  1
  Ni  Ni72  1  0.328986  0.095289  0.345124  1
  Ni  Ni73  1  0.671821  0.735725  0.362427  1
  Ni  Ni74  1  0.670443  0.456468  0.329313  1
  Ni  Ni75  1  0.671005  0.095289  0.345124  1
  Ni  Ni76  1  0.828536  0.554261  0.370995  1
  Ni  Ni77  1  0.829086  0.276655  0.336968  1
  Ni  Ni78  1  0.829831  0.914436  0.353197  1
  Ni  Ni79  1  0.171368  0.471068  0.420672  1
  Ni  Ni80  1  0.171881  0.193103  0.386935  1
  Ni  Ni81  1  0.171503  0.832701  0.403652  1
  Ni  Ni82  1  0.328328  0.652120  0.412316  1
  Ni  Ni83  1  0.328326  0.373616  0.378922  1
  Ni  Ni84  1  0.328219  0.012486  0.395046  1
  Ni  Ni85  1  0.671663  0.652120  0.412316  1
  Ni  Ni86  1  0.671664  0.373616  0.378922  1
  Ni  Ni87  1  0.671771  0.012486  0.395046  1
  Ni  Ni88  1  0.828622  0.471068  0.420672  1
  Ni  Ni89  1  0.828110  0.193103  0.386935  1
  Ni  Ni90  1  0.828487  0.832701  0.403652  1
  Ni  Ni91  1  0.171475  0.387860  0.470571  1
  Ni  Ni92  1  0.171624  0.109889  0.436960  1
  Ni  Ni93  1  0.171636  0.749285  0.453823  1
  Ni  Ni94  1  0.328396  0.568591  0.462267  1
  Ni  Ni95  1  0.328504  0.290379  0.428808  1
  Ni  Ni96  1  0.328324  0.929642  0.445319  1
  Ni  Ni97  1  0.671594  0.568591  0.462267  1
  Ni  Ni98  1  0.671486  0.290379  0.428808  1
  Ni  Ni99  1  0.671667  0.929642  0.445319  1
  Ni  Ni100  1  0.828516  0.387860  0.470571  1
  Ni  Ni101  1  0.828366  0.109889  0.436960  1
  Ni  Ni102  1  0.828355  0.749285  0.453823  1
  Ni  Ni103  1  0.171480  0.304787  0.520565  1
  Ni  Ni104  1  0.171588  0.026797  0.487042  1
  Ni  Ni105  1  0.171627  0.665773  0.503893  1
  Ni  Ni106  1  0.328403  0.485273  0.512292  1
  Ni  Ni107  1  0.328511  0.207283  0.478769  1
  Ni  Ni108  1  0.328364  0.846297  0.495440  1
  Ni  Ni109  1  0.671588  0.485273  0.512292  1
  Ni  Ni110  1  0.671480  0.207283  0.478769  1
  Ni  Ni111  1  0.671627  0.846297  0.495440  1
  Ni  Ni112  1  0.828511  0.304787  0.520565  1
  Ni  Ni113  1  0.828403  0.026797  0.487042  1
  Ni  Ni114  1  0.828364  0.665773  0.503893  1
  Ni  Ni115  1  0.171486  0.221692  0.570526  1
  Ni  Ni116  1  0.171594  0.943479  0.537067  1
  Ni  Ni117  1  0.171667  0.582428  0.554015  1
  Ni  Ni118  1  0.328366  0.402181  0.562374  1
  Ni  Ni119  1  0.328516  0.124210  0.528763  1
  Ni  Ni120  1  0.328355  0.762785  0.545511  1
  Ni  Ni121  1  0.671624  0.402181  0.562374  1
  Ni  Ni122  1  0.671475  0.124210  0.528763  1
  Ni  Ni123  1  0.671636  0.762785  0.545511  1
  Ni  Ni124  1  0.828504  0.221692  0.570526  1
  Ni  Ni125  1  0.828396  0.943479  0.537067  1
  Ni  Ni126  1  0.828324  0.582428  0.554015  1
  Ni  Ni127  1  0.171664  0.138454  0.620412  1
  Ni  Ni128  1  0.171663  0.859950  0.587018  1
  Ni  Ni129  1  0.171771  0.499585  0.604288  1
  Ni  Ni130  1  0.328110  0.318968  0.612399  1
  Ni  Ni131  1  0.328622  0.041002  0.578661  1
  Ni  Ni132  1  0.328487  0.679369  0.595682  1
  Ni  Ni133  1  0.671881  0.318968  0.612399  1
  Ni  Ni134  1  0.671368  0.041002  0.578661  1
  Ni  Ni135  1  0.671503  0.679369  0.595682  1
  Ni  Ni136  1  0.828326  0.138454  0.620412  1
  Ni  Ni137  1  0.828328  0.859950  0.587018  1
  Ni  Ni138  1  0.828219  0.499585  0.604288  1
  Ni  Ni139  1  0.170443  0.055603  0.670021  1
  Ni  Ni140  1  0.171821  0.776345  0.636907  1
  Ni  Ni141  1  0.171005  0.416781  0.654210  1
  Ni  Ni142  1  0.329086  0.235415  0.662366  1
  Ni  Ni143  1  0.328536  0.957809  0.628339  1
  Ni  Ni144  1  0.329831  0.597634  0.646137  1
  Ni  Ni145  1  0.670904  0.235415  0.662366  1
  Ni  Ni146  1  0.671454  0.957809  0.628339  1
  Ni  Ni147  1  0.670160  0.597634  0.646137  1
  Ni  Ni148  1  0.829547  0.055603  0.670021  1
  Ni  Ni149  1  0.828169  0.776345  0.636907  1
  Ni  Ni150  1  0.828986  0.416781  0.654210  1
  Ni  Ni151  1  0.167223  0.969523  0.718505  1
  Ni  Ni152  1  0.169156  0.697351  0.687318  1
  Ni  Ni153  1  0.169851  0.333698  0.703358  1
  Ni  Ni154  1  0.331858  0.149933  0.711445  1
  Ni  Ni155  1  0.329278  0.875756  0.677496  1
  Ni  Ni156  1  0.331416  0.516171  0.695188  1
  Ni  Ni157  1  0.668132  0.149933  0.711445  1
  Ni  Ni158  1  0.670712  0.875756  0.677496  1
  Ni  Ni159  1  0.668574  0.516171  0.695188  1
  Ni  Ni160  1  0.832767  0.969523  0.718505  1
  Ni  Ni161  1  0.830834  0.697351  0.687318  1
  Ni  Ni162  1  0.830139  0.333698  0.703358  1
