# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15519995
_cell_length_b   8.25084663
_cell_length_c   47.93580797
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.35855044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr32 Ni64'
_cell_volume   2368.58106506
_cell_formula_units_Z   32
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  0.849257  0.374338  0.281303  1
  Cr  Cr2  1  0.489018  0.309527  0.307957  1
  Cr  Cr3  1  0.680421  0.847028  0.293857  1
  Cr  Cr4  1  0.314816  0.776342  0.321896  1
  Cr  Cr5  1  0.129008  0.243771  0.336567  1
  Cr  Cr6  1  0.767417  0.180361  0.363797  1
  Cr  Cr7  1  0.950978  0.711724  0.350253  1
  Cr  Cr8  1  0.587185  0.649597  0.377201  1
  Cr  Cr9  1  0.404686  0.118652  0.391410  1
  Cr  Cr10  1  0.041451  0.054792  0.419496  1
  Cr  Cr11  1  0.223750  0.587002  0.405324  1
  Cr  Cr12  1  0.860245  0.522933  0.433456  1
  Cr  Cr13  1  0.678095  0.991430  0.447256  1
  Cr  Cr14  1  0.314800  0.929099  0.475037  1
  Cr  Cr15  1  0.496747  0.460377  0.461118  1
  Cr  Cr16  1  0.133103  0.397593  0.489004  1
  Cr  Cr17  1  0.951353  0.865797  0.502956  1
  Cr  Cr18  1  0.587835  0.802379  0.530872  1
  Cr  Cr19  1  0.769477  0.333927  0.516893  1
  Cr  Cr20  1  0.405948  0.271157  0.544812  1
  Cr  Cr21  1  0.224422  0.739990  0.558641  1
  Cr  Cr22  1  0.861119  0.676870  0.586420  1
  Cr  Cr23  1  0.042600  0.208718  0.572563  1
  Cr  Cr24  1  0.679250  0.144481  0.600526  1
  Cr  Cr25  1  0.497670  0.612732  0.614600  1
  Cr  Cr26  1  0.133675  0.551210  0.642157  1
  Cr  Cr27  1  0.316192  0.081711  0.628535  1
  Cr  Cr28  1  0.953912  0.019985  0.655508  1
  Cr  Cr29  1  0.769058  0.487823  0.669221  1
  Cr  Cr30  1  0.406963  0.418834  0.698596  1
  Cr  Cr31  1  0.591459  0.955003  0.683807  1
  Cr  Cr32  1  0.228249  0.885696  0.711730  1
  Ni  Ni33  1  0.757589  0.129948  0.313079  1
  Ni  Ni34  1  0.108036  0.188192  0.286257  1
  Ni  Ni35  1  0.035486  0.953802  0.318011  1
  Ni  Ni36  1  0.387300  0.018292  0.290392  1
  Ni  Ni37  1  0.944182  0.663633  0.299455  1
  Ni  Ni38  1  0.586941  0.598923  0.325871  1
  Ni  Ni39  1  0.858457  0.422636  0.331605  1
  Ni  Ni40  1  0.212503  0.483288  0.303787  1
  Ni  Ni41  1  0.039079  0.001721  0.368478  1
  Ni  Ni42  1  0.401506  0.066747  0.340468  1
  Ni  Ni43  1  0.314442  0.828343  0.372887  1
  Ni  Ni44  1  0.676100  0.890640  0.345052  1
  Ni  Ni45  1  0.223360  0.534237  0.354135  1
  Ni  Ni46  1  0.859278  0.470451  0.382353  1
  Ni  Ni47  1  0.133109  0.296771  0.387123  1
  Ni  Ni48  1  0.497051  0.360434  0.358744  1
  Ni  Ni49  1  0.313989  0.876811  0.423858  1
  Ni  Ni50  1  0.676739  0.939175  0.396065  1
  Ni  Ni51  1  0.587555  0.701521  0.428636  1
  Ni  Ni52  1  0.950309  0.764395  0.401113  1
  Ni  Ni53  1  0.496390  0.408478  0.409855  1
  Ni  Ni54  1  0.132684  0.345230  0.437910  1
  Ni  Ni55  1  0.406212  0.170549  0.442605  1
  Ni  Ni56  1  0.769297  0.232826  0.414875  1
  Ni  Ni57  1  0.587009  0.750205  0.479655  1
  Ni  Ni58  1  0.950394  0.813261  0.451897  1
  Ni  Ni59  1  0.860596  0.575550  0.484518  1
  Ni  Ni60  1  0.224411  0.639053  0.456556  1
  Ni  Ni61  1  0.768768  0.281541  0.465779  1
  Ni  Ni62  1  0.405429  0.219008  0.493580  1
  Ni  Ni63  1  0.678877  0.043863  0.498418  1
  Ni  Ni64  1  0.042494  0.107372  0.470553  1
  Ni  Ni65  1  0.860126  0.624190  0.535367  1
  Ni  Ni66  1  0.223795  0.687619  0.507485  1
  Ni  Ni67  1  0.133812  0.449909  0.540143  1
  Ni  Ni68  1  0.497161  0.512522  0.512346  1
  Ni  Ni69  1  0.042090  0.156062  0.521429  1
  Ni  Ni70  1  0.678399  0.092465  0.549341  1
  Ni  Ni71  1  0.952348  0.918360  0.554000  1
  Ni  Ni72  1  0.315738  0.981301  0.526236  1
  Ni  Ni73  1  0.133359  0.498643  0.591063  1
  Ni  Ni74  1  0.496392  0.560939  0.563340  1
  Ni  Ni75  1  0.406164  0.323025  0.596107  1
  Ni  Ni76  1  0.769962  0.386287  0.567975  1
  Ni  Ni77  1  0.315196  0.029951  0.577217  1
  Ni  Ni78  1  0.952419  0.967256  0.604768  1
  Ni  Ni79  1  0.225949  0.792267  0.609811  1
  Ni  Ni80  1  0.588612  0.854606  0.582045  1
  Ni  Ni81  1  0.404960  0.371047  0.647217  1
  Ni  Ni82  1  0.769498  0.434866  0.618674  1
  Ni  Ni83  1  0.680702  0.197424  0.651564  1
  Ni  Ni84  1  0.043560  0.261420  0.623815  1
  Ni  Ni85  1  0.588482  0.902865  0.633024  1
  Ni  Ni86  1  0.227540  0.839994  0.660833  1
  Ni  Ni87  1  0.500637  0.664030  0.665600  1
  Ni  Ni88  1  0.863656  0.730164  0.637449  1
  Ni  Ni89  1  0.695013  0.248773  0.702019  1
  Ni  Ni90  1  0.044725  0.309830  0.674786  1
  Ni  Ni91  1  0.964672  0.070232  0.706154  1
  Ni  Ni92  1  0.320940  0.132330  0.679602  1
  Ni  Ni93  1  0.870067  0.778973  0.687946  1
  Ni  Ni94  1  0.520850  0.712676  0.715320  1
  Ni  Ni95  1  0.794220  0.539559  0.719082  1
  Ni  Ni96  1  0.144917  0.600853  0.693082  1
