# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49850600
_cell_length_b   10.28878290
_cell_length_c   46.05960714
_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   'Cr48 Ni96'
_cell_volume   3553.52173571
_cell_formula_units_Z   48
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  1.001746  0.230942  0.309522  1
  Cr  Cr2  1  1.001746  0.640766  0.329780  1
  Cr  Cr3  1  1.001746  0.816363  0.291553  1
  Cr  Cr4  1  0.501746  0.434641  0.319211  1
  Cr  Cr5  1  0.501746  0.613536  0.283099  1
  Cr  Cr6  1  0.501746  0.022275  0.300489  1
  Cr  Cr7  1  1.001746  0.455859  0.365645  1
  Cr  Cr8  1  1.001746  0.864270  0.384035  1
  Cr  Cr9  1  1.001746  0.048988  0.347043  1
  Cr  Cr10  1  0.501746  0.660430  0.375400  1
  Cr  Cr11  1  0.501746  0.843957  0.338079  1
  Cr  Cr12  1  0.501746  0.251941  0.356646  1
  Cr  Cr13  1  1.001746  0.680891  0.421674  1
  Cr  Cr14  1  1.001746  0.088710  0.439618  1
  Cr  Cr15  1  1.001746  0.272356  0.402560  1
  Cr  Cr16  1  0.501746  0.884578  0.430590  1
  Cr  Cr17  1  0.501746  0.068160  0.393233  1
  Cr  Cr18  1  0.501746  0.476201  0.411840  1
  Cr  Cr19  1  1.001746  0.904957  0.476977  1
  Cr  Cr20  1  1.001746  0.313206  0.495484  1
  Cr  Cr21  1  1.001746  0.496852  0.458383  1
  Cr  Cr22  1  0.501746  0.108973  0.485981  1
  Cr  Cr23  1  0.501746  0.292905  0.449033  1
  Cr  Cr24  1  0.501746  0.701064  0.468048  1
  Cr  Cr25  1  1.001746  0.129111  0.532275  1
  Cr  Cr26  1  1.001746  0.537269  0.551289  1
  Cr  Cr27  1  1.001746  0.721201  0.514341  1
  Cr  Cr28  1  0.501746  0.333322  0.541940  1
  Cr  Cr29  1  0.501746  0.516968  0.504838  1
  Cr  Cr30  1  0.501746  0.925217  0.523345  1
  Cr  Cr31  1  1.001746  0.353974  0.588482  1
  Cr  Cr32  1  1.001746  0.762014  0.607089  1
  Cr  Cr33  1  1.001746  0.945596  0.569732  1
  Cr  Cr34  1  0.501746  0.557818  0.597762  1
  Cr  Cr35  1  0.501746  0.741464  0.560705  1
  Cr  Cr36  1  0.501746  0.149284  0.578648  1
  Cr  Cr37  1  1.001746  0.578233  0.643677  1
  Cr  Cr38  1  0.001746  0.986218  0.662244  1
  Cr  Cr39  1  1.001746  0.169744  0.624922  1
  Cr  Cr40  1  0.501746  0.781186  0.653279  1
  Cr  Cr41  1  0.501746  0.965904  0.616287  1
  Cr  Cr42  1  0.501746  0.374315  0.634677  1
  Cr  Cr43  1  0.001746  0.807899  0.699834  1
  Cr  Cr44  1  0.001746  0.216638  0.717223  1
  Cr  Cr45  1  0.001746  0.395533  0.681111  1
  Cr  Cr46  1  0.501746  0.013811  0.708770  1
  Cr  Cr47  1  0.501746  0.189409  0.670543  1
  Cr  Cr48  1  0.501746  0.599232  0.690800  1
  Ni  Ni49  1  0.168780  0.433587  0.319424  1
  Ni  Ni50  1  0.167197  0.606846  0.284027  1
  Ni  Ni51  1  0.168712  0.020805  0.301286  1
  Ni  Ni52  1  0.334718  0.226440  0.310629  1
  Ni  Ni53  1  0.334209  0.638952  0.329297  1
  Ni  Ni54  1  0.333656  0.813441  0.292255  1
  Ni  Ni55  1  0.668774  0.226440  0.310629  1
  Ni  Ni56  1  0.669283  0.638952  0.329297  1
  Ni  Ni57  1  0.669836  0.813441  0.292255  1
  Ni  Ni58  1  0.834712  0.433587  0.319424  1
  Ni  Ni59  1  0.836295  0.606846  0.284027  1
  Ni  Ni60  1  0.834780  0.020805  0.301286  1
  Ni  Ni61  1  0.170281  0.659958  0.375503  1
  Ni  Ni62  1  0.169692  0.843140  0.337855  1
  Ni  Ni63  1  0.169512  0.251511  0.356078  1
  Ni  Ni64  1  0.333693  0.455687  0.365375  1
  Ni  Ni65  1  0.333433  0.864155  0.384253  1
  Ni  Ni66  1  0.334091  0.047086  0.346874  1
  Ni  Ni67  1  0.669799  0.455687  0.365375  1
  Ni  Ni68  1  0.670059  0.864155  0.384253  1
  Ni  Ni69  1  0.669401  0.047086  0.346874  1
  Ni  Ni70  1  0.833211  0.659958  0.375503  1
  Ni  Ni71  1  0.833800  0.843140  0.337855  1
  Ni  Ni72  1  0.833980  0.251511  0.356078  1
  Ni  Ni73  1  0.169762  0.884678  0.430569  1
  Ni  Ni74  1  0.170018  0.068295  0.393264  1
  Ni  Ni75  1  0.169904  0.476388  0.411986  1
  Ni  Ni76  1  0.333884  0.680475  0.421709  1
  Ni  Ni77  1  0.333751  0.088789  0.439629  1
  Ni  Ni78  1  0.333211  0.272408  0.402641  1
  Ni  Ni79  1  0.669608  0.680475  0.421709  1
  Ni  Ni80  1  0.669741  0.088789  0.439629  1
  Ni  Ni81  1  0.670281  0.272408  0.402641  1
  Ni  Ni82  1  0.833730  0.884678  0.430569  1
  Ni  Ni83  1  0.833474  0.068295  0.393264  1
  Ni  Ni84  1  0.833588  0.476388  0.411986  1
  Ni  Ni85  1  0.169829  0.109025  0.485994  1
  Ni  Ni86  1  0.169695  0.292804  0.449062  1
  Ni  Ni87  1  0.169819  0.700901  0.467980  1
  Ni  Ni88  1  0.333572  0.905003  0.476959  1
  Ni  Ni89  1  0.333675  0.313060  0.495483  1
  Ni  Ni90  1  0.333805  0.496791  0.458410  1
  Ni  Ni91  1  0.669920  0.905003  0.476959  1
  Ni  Ni92  1  0.669817  0.313060  0.495483  1
  Ni  Ni93  1  0.669687  0.496791  0.458410  1
  Ni  Ni94  1  0.833663  0.109025  0.485994  1
  Ni  Ni95  1  0.833797  0.292804  0.449062  1
  Ni  Ni96  1  0.833673  0.700901  0.467980  1
  Ni  Ni97  1  0.169687  0.333384  0.541913  1
  Ni  Ni98  1  0.169817  0.517115  0.504840  1
  Ni  Ni99  1  0.169920  0.925171  0.523363  1
  Ni  Ni100  1  0.333673  0.129273  0.532343  1
  Ni  Ni101  1  0.333797  0.537371  0.551260  1
  Ni  Ni102  1  0.333663  0.721149  0.514328  1
  Ni  Ni103  1  0.669819  0.129273  0.532343  1
  Ni  Ni104  1  0.669695  0.537371  0.551260  1
  Ni  Ni105  1  0.669829  0.721149  0.514328  1
  Ni  Ni106  1  0.833805  0.333384  0.541913  1
  Ni  Ni107  1  0.833675  0.517115  0.504840  1
  Ni  Ni108  1  0.833572  0.925171  0.523363  1
  Ni  Ni109  1  0.170281  0.557767  0.597681  1
  Ni  Ni110  1  0.169741  0.741386  0.560694  1
  Ni  Ni111  1  0.169608  0.149700  0.578613  1
  Ni  Ni112  1  0.333588  0.353786  0.588336  1
  Ni  Ni113  1  0.333474  0.761879  0.607058  1
  Ni  Ni114  1  0.333730  0.945496  0.569753  1
  Ni  Ni115  1  0.669904  0.353786  0.588336  1
  Ni  Ni116  1  0.670018  0.761879  0.607058  1
  Ni  Ni117  1  0.669762  0.945496  0.569753  1
  Ni  Ni118  1  0.833211  0.557767  0.597681  1
  Ni  Ni119  1  0.833751  0.741386  0.560694  1
  Ni  Ni120  1  0.833884  0.149700  0.578613  1
  Ni  Ni121  1  0.169401  0.783088  0.653448  1
  Ni  Ni122  1  0.170059  0.966020  0.616069  1
  Ni  Ni123  1  0.169799  0.374487  0.634947  1
  Ni  Ni124  1  0.333980  0.578664  0.644244  1
  Ni  Ni125  1  0.333800  0.987034  0.662467  1
  Ni  Ni126  1  0.333211  0.170216  0.624819  1
  Ni  Ni127  1  0.669512  0.578664  0.644244  1
  Ni  Ni128  1  0.669692  0.987034  0.662467  1
  Ni  Ni129  1  0.670281  0.170216  0.624819  1
  Ni  Ni130  1  0.834091  0.783088  0.653448  1
  Ni  Ni131  1  0.833433  0.966020  0.616069  1
  Ni  Ni132  1  0.833693  0.374487  0.634947  1
  Ni  Ni133  1  0.169836  0.016734  0.708067  1
  Ni  Ni134  1  0.169283  0.191222  0.671025  1
  Ni  Ni135  1  0.168774  0.603734  0.689693  1
  Ni  Ni136  1  0.334780  0.809370  0.699037  1
  Ni  Ni137  1  0.336295  0.223328  0.716296  1
  Ni  Ni138  1  0.334712  0.396587  0.680898  1
  Ni  Ni139  1  0.668712  0.809370  0.699037  1
  Ni  Ni140  1  0.667197  0.223328  0.716296  1
  Ni  Ni141  1  0.668780  0.396587  0.680898  1
  Ni  Ni142  1  0.833656  0.016734  0.708067  1
  Ni  Ni143  1  0.834209  0.191222  0.671025  1
  Ni  Ni144  1  0.834718  0.603734  0.689693  1
