# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43043833
_cell_length_b   8.36750236
_cell_length_c   49.46290689
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.57361695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr42 Ni84'
_cell_volume   3418.25486693
_cell_formula_units_Z   42
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  0.468022  0.188834  0.300774  1
  Cr  Cr2  1  0.193794  0.125448  0.322293  1
  Cr  Cr3  1  0.742758  0.230915  0.279347  1
  Cr  Cr4  1  0.331930  0.655941  0.312256  1
  Cr  Cr5  1  0.055916  0.595085  0.333080  1
  Cr  Cr6  1  0.611878  0.707056  0.289329  1
  Cr  Cr7  1  0.638599  0.009823  0.365139  1
  Cr  Cr8  1  0.359770  0.954337  0.385684  1
  Cr  Cr9  1  0.916806  0.066778  0.344005  1
  Cr  Cr10  1  0.498898  0.482413  0.375106  1
  Cr  Cr11  1  0.220434  0.426318  0.395871  1
  Cr  Cr12  1  0.777923  0.537519  0.354484  1
  Cr  Cr13  1  0.802982  0.842453  0.427001  1
  Cr  Cr14  1  0.524775  0.786047  0.447892  1
  Cr  Cr15  1  0.081212  0.898455  0.406209  1
  Cr  Cr16  1  0.664019  0.314255  0.437508  1
  Cr  Cr17  1  0.385718  0.257880  0.458337  1
  Cr  Cr18  1  0.942154  0.370568  0.416586  1
  Cr  Cr19  1  0.968380  0.673403  0.489571  1
  Cr  Cr20  1  0.690123  0.617226  0.510395  1
  Cr  Cr21  1  0.246602  0.729655  0.468749  1
  Cr  Cr22  1  0.829253  0.145326  0.499980  1
  Cr  Cr23  1  0.551026  0.089119  0.520815  1
  Cr  Cr24  1  0.107509  0.201528  0.479157  1
  Cr  Cr25  1  0.133752  0.504550  0.552063  1
  Cr  Cr26  1  0.855603  0.448069  0.573007  1
  Cr  Cr27  1  0.411912  0.560991  0.531206  1
  Cr  Cr28  1  0.994564  0.976246  0.562483  1
  Cr  Cr29  1  0.716273  0.919973  0.583374  1
  Cr  Cr30  1  0.272852  0.032749  0.541646  1
  Cr  Cr31  1  0.298908  0.336429  0.614326  1
  Cr  Cr32  1  0.019704  0.281183  0.634665  1
  Cr  Cr33  1  0.577473  0.392115  0.593853  1
  Cr  Cr34  1  0.159537  0.808598  0.624653  1
  Cr  Cr35  1  0.880745  0.752783  0.645503  1
  Cr  Cr36  1  0.437992  0.864461  0.604048  1
  Cr  Cr37  1  0.461791  0.164956  0.677685  1
  Cr  Cr38  1  0.181756  0.099576  0.699982  1
  Cr  Cr39  1  0.740959  0.225115  0.655705  1
  Cr  Cr40  1  0.328280  0.634816  0.687724  1
  Cr  Cr41  1  0.047552  0.584358  0.710310  1
  Cr  Cr42  1  0.603748  0.695094  0.667097  1
  Ni  Ni43  1  0.386889  0.927856  0.333521  1
  Ni  Ni44  1  0.937336  0.030447  0.291752  1
  Ni  Ni45  1  0.662415  0.982897  0.313300  1
  Ni  Ni46  1  0.417664  0.911203  0.282623  1
  Ni  Ni47  1  0.137056  0.851129  0.302264  1
  Ni  Ni48  1  0.859523  0.793562  0.323463  1
  Ni  Ni49  1  0.528420  0.456719  0.322881  1
  Ni  Ni50  1  0.247787  0.397255  0.343734  1
  Ni  Ni51  1  0.807050  0.511625  0.302204  1
  Ni  Ni52  1  0.276514  0.384041  0.292202  1
  Ni  Ni53  1  0.998945  0.321691  0.312409  1
  Ni  Ni54  1  0.721358  0.265355  0.333580  1
  Ni  Ni55  1  0.553187  0.755425  0.395552  1
  Ni  Ni56  1  0.109071  0.868760  0.353873  1
  Ni  Ni57  1  0.831390  0.811409  0.374650  1
  Ni  Ni58  1  0.583197  0.738197  0.343942  1
  Ni  Ni59  1  0.305851  0.682097  0.364880  1
  Ni  Ni60  1  0.027570  0.625248  0.385620  1
  Ni  Ni61  1  0.692053  0.283779  0.385135  1
  Ni  Ni62  1  0.413938  0.227873  0.405955  1
  Ni  Ni63  1  0.970075  0.339839  0.364203  1
  Ni  Ni64  1  0.444523  0.209969  0.354358  1
  Ni  Ni65  1  0.166660  0.153347  0.375137  1
  Ni  Ni66  1  0.888337  0.097175  0.396197  1
  Ni  Ni67  1  0.718432  0.587455  0.458028  1
  Ni  Ni68  1  0.274789  0.699545  0.416378  1
  Ni  Ni69  1  0.996642  0.643628  0.437169  1
  Ni  Ni70  1  0.748887  0.568966  0.406607  1
  Ni  Ni71  1  0.470420  0.512685  0.427426  1
  Ni  Ni72  1  0.192088  0.456446  0.448224  1
  Ni  Ni73  1  0.857621  0.115520  0.447622  1
  Ni  Ni74  1  0.579252  0.059189  0.468471  1
  Ni  Ni75  1  0.135786  0.171660  0.426754  1
  Ni  Ni76  1  0.609620  0.040953  0.417112  1
  Ni  Ni77  1  0.331146  0.984619  0.437865  1
  Ni  Ni78  1  0.052976  0.928342  0.458620  1
  Ni  Ni79  1  0.883659  0.418460  0.520534  1
  Ni  Ni80  1  0.440130  0.531072  0.478855  1
  Ni  Ni81  1  0.161847  0.474713  0.499683  1
  Ni  Ni82  1  0.913970  0.400291  0.469031  1
  Ni  Ni83  1  0.635799  0.344069  0.489879  1
  Ni  Ni84  1  0.357598  0.287763  0.510694  1
  Ni  Ni85  1  0.022722  0.946553  0.510100  1
  Ni  Ni86  1  0.744579  0.890315  0.530942  1
  Ni  Ni87  1  0.300944  0.002863  0.489281  1
  Ni  Ni88  1  0.774861  0.872159  0.479443  1
  Ni  Ni89  1  0.496683  0.815928  0.500279  1
  Ni  Ni90  1  0.218390  0.759574  0.521098  1
  Ni  Ni91  1  0.048963  0.249661  0.582827  1
  Ni  Ni92  1  0.605580  0.362313  0.541370  1
  Ni  Ni93  1  0.327471  0.306088  0.562115  1
  Ni  Ni94  1  0.079296  0.231389  0.531496  1
  Ni  Ni95  1  0.800915  0.175082  0.552336  1
  Ni  Ni96  1  0.522688  0.119065  0.573214  1
  Ni  Ni97  1  0.188132  0.777927  0.572487  1
  Ni  Ni98  1  0.909507  0.721606  0.593361  1
  Ni  Ni99  1  0.466482  0.834161  0.551730  1
  Ni  Ni100  1  0.940029  0.703096  0.541940  1
  Ni  Ni101  1  0.661849  0.646866  0.562818  1
  Ni  Ni102  1  0.383859  0.591053  0.583606  1
  Ni  Ni103  1  0.213329  0.080735  0.645731  1
  Ni  Ni104  1  0.770019  0.193328  0.603718  1
  Ni  Ni105  1  0.491472  0.137254  0.624848  1
  Ni  Ni106  1  0.244516  0.062978  0.594035  1
  Ni  Ni107  1  0.966238  0.006887  0.614826  1
  Ni  Ni108  1  0.688459  0.950988  0.635799  1
  Ni  Ni109  1  0.352778  0.608696  0.635176  1
  Ni  Ni110  1  0.075304  0.551378  0.656027  1
  Ni  Ni111  1  0.630888  0.665508  0.614412  1
  Ni  Ni112  1  0.105541  0.535302  0.604395  1
  Ni  Ni113  1  0.827177  0.479344  0.625362  1
  Ni  Ni114  1  0.549332  0.421946  0.646197  1
  Ni  Ni115  1  0.381391  0.907882  0.707521  1
  Ni  Ni116  1  0.936874  0.026078  0.666178  1
  Ni  Ni117  1  0.659914  0.969741  0.687344  1
  Ni  Ni118  1  0.411675  0.893933  0.656169  1
  Ni  Ni119  1  0.133593  0.832309  0.676261  1
  Ni  Ni120  1  0.856832  0.788789  0.697990  1
  Ni  Ni121  1  0.523371  0.437715  0.697798  1
  Ni  Ni122  1  0.245836  0.382527  0.717007  1
  Ni  Ni123  1  0.799786  0.497979  0.676813  1
  Ni  Ni124  1  0.270963  0.362050  0.666546  1
  Ni  Ni125  1  0.995881  0.305885  0.686934  1
  Ni  Ni126  1  0.722927  0.255737  0.707741  1
