# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49675163
_cell_length_b   7.91616741
_cell_length_c   47.95158725
_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   'Cr36 Ni72'
_cell_volume   2845.71288075
_cell_formula_units_Z   36
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  0.999871  0.875195  0.303067  1
  Cr  Cr2  1  -0.000129  0.455494  0.280117  1
  Cr  Cr3  1  0.499871  0.616406  0.318888  1
  Cr  Cr4  1  0.499871  0.158349  0.291598  1
  Cr  Cr5  1  0.999871  0.788747  0.355328  1
  Cr  Cr6  1  -0.000129  0.341250  0.330660  1
  Cr  Cr7  1  0.499871  0.512815  0.368450  1
  Cr  Cr8  1  0.499871  0.061629  0.342622  1
  Cr  Cr9  1  0.999871  0.687163  0.405693  1
  Cr  Cr10  1  -0.000129  0.236093  0.380555  1
  Cr  Cr11  1  0.499871  0.410521  0.418233  1
  Cr  Cr12  1  0.499871  0.961932  0.393045  1
  Cr  Cr13  1  0.999871  0.585298  0.455735  1
  Cr  Cr14  1  -0.000129  0.135357  0.430656  1
  Cr  Cr15  1  0.499871  0.309667  0.468238  1
  Cr  Cr16  1  0.499871  0.860707  0.443193  1
  Cr  Cr17  1  0.999871  0.483898  0.505768  1
  Cr  Cr18  1  0.999871  0.034500  0.480731  1
  Cr  Cr19  1  0.499871  0.208672  0.518282  1
  Cr  Cr20  1  0.499871  0.759274  0.493245  1
  Cr  Cr21  1  0.999871  0.382465  0.555820  1
  Cr  Cr22  1  0.999871  0.933505  0.530775  1
  Cr  Cr23  1  0.499871  0.107815  0.568356  1
  Cr  Cr24  1  0.499871  0.657874  0.543277  1
  Cr  Cr25  1  0.999871  0.281240  0.605967  1
  Cr  Cr26  1  0.999871  0.832651  0.580779  1
  Cr  Cr27  1  0.499871  0.007080  0.618457  1
  Cr  Cr28  1  0.499871  0.556009  0.593320  1
  Cr  Cr29  1  -0.000129  0.181543  0.656391  1
  Cr  Cr30  1  -0.000129  0.730357  0.630563  1
  Cr  Cr31  1  0.499871  0.901922  0.668353  1
  Cr  Cr32  1  0.499871  0.454425  0.643685  1
  Cr  Cr33  1  -0.000129  0.084823  0.707415  1
  Cr  Cr34  1  0.999871  0.626766  0.680125  1
  Cr  Cr35  1  0.499871  0.787678  0.718896  1
  Cr  Cr36  1  0.499871  0.367977  0.695946  1
  Ni  Ni37  1  0.170676  0.611941  0.319313  1
  Ni  Ni38  1  0.167385  0.164954  0.293695  1
  Ni  Ni39  1  0.330202  0.884636  0.305576  1
  Ni  Ni40  1  0.332506  0.441823  0.282460  1
  Ni  Ni41  1  0.669541  0.884636  0.305576  1
  Ni  Ni42  1  0.667237  0.441823  0.282460  1
  Ni  Ni43  1  0.829067  0.611941  0.319313  1
  Ni  Ni44  1  0.832358  0.164954  0.293695  1
  Ni  Ni45  1  0.171485  0.511939  0.368509  1
  Ni  Ni46  1  0.170012  0.061096  0.342657  1
  Ni  Ni47  1  0.327913  0.788644  0.355837  1
  Ni  Ni48  1  0.329428  0.336025  0.331014  1
  Ni  Ni49  1  0.671830  0.788644  0.355837  1
  Ni  Ni50  1  0.670314  0.336025  0.331014  1
  Ni  Ni51  1  0.828258  0.511939  0.368509  1
  Ni  Ni52  1  0.829731  0.061096  0.342657  1
  Ni  Ni53  1  0.171348  0.410737  0.418248  1
  Ni  Ni54  1  0.171418  0.961791  0.393049  1
  Ni  Ni55  1  0.328173  0.686645  0.405766  1
  Ni  Ni56  1  0.328183  0.235922  0.380561  1
  Ni  Ni57  1  0.671569  0.686645  0.405766  1
  Ni  Ni58  1  0.671560  0.235922  0.380561  1
  Ni  Ni59  1  0.828395  0.410737  0.418248  1
  Ni  Ni60  1  0.828325  0.961791  0.393049  1
  Ni  Ni61  1  0.171423  0.309738  0.468235  1
  Ni  Ni62  1  0.171525  0.860569  0.443201  1
  Ni  Ni63  1  0.328285  0.585120  0.455733  1
  Ni  Ni64  1  0.328229  0.135581  0.430663  1
  Ni  Ni65  1  0.671457  0.585120  0.455733  1
  Ni  Ni66  1  0.671514  0.135581  0.430663  1
  Ni  Ni67  1  0.828319  0.309738  0.468235  1
  Ni  Ni68  1  0.828218  0.860569  0.443201  1
  Ni  Ni69  1  0.171474  0.208621  0.518276  1
  Ni  Ni70  1  0.171487  0.759273  0.493251  1
  Ni  Ni71  1  0.328256  0.483899  0.505762  1
  Ni  Ni72  1  0.328268  0.034551  0.480737  1
  Ni  Ni73  1  0.671487  0.483899  0.505762  1
  Ni  Ni74  1  0.671474  0.034551  0.480737  1
  Ni  Ni75  1  0.828268  0.208621  0.518276  1
  Ni  Ni76  1  0.828256  0.759273  0.493251  1
  Ni  Ni77  1  0.171514  0.107591  0.568349  1
  Ni  Ni78  1  0.171457  0.658053  0.543280  1
  Ni  Ni79  1  0.328218  0.382603  0.555812  1
  Ni  Ni80  1  0.328319  0.933434  0.530777  1
  Ni  Ni81  1  0.671525  0.382603  0.555812  1
  Ni  Ni82  1  0.671423  0.933434  0.530777  1
  Ni  Ni83  1  0.828229  0.107591  0.568349  1
  Ni  Ni84  1  0.828285  0.658053  0.543280  1
  Ni  Ni85  1  0.171560  0.007250  0.618451  1
  Ni  Ni86  1  0.171569  0.556527  0.593247  1
  Ni  Ni87  1  0.328325  0.281381  0.605964  1
  Ni  Ni88  1  0.328395  0.832435  0.580765  1
  Ni  Ni89  1  0.671418  0.281381  0.605964  1
  Ni  Ni90  1  0.671348  0.832435  0.580765  1
  Ni  Ni91  1  0.828183  0.007250  0.618451  1
  Ni  Ni92  1  0.828173  0.556527  0.593247  1
  Ni  Ni93  1  0.170314  0.907147  0.667999  1
  Ni  Ni94  1  0.171830  0.454529  0.643176  1
  Ni  Ni95  1  0.329731  0.182076  0.656356  1
  Ni  Ni96  1  0.328258  0.731233  0.630504  1
  Ni  Ni97  1  0.670012  0.182076  0.656356  1
  Ni  Ni98  1  0.671485  0.731233  0.630504  1
  Ni  Ni99  1  0.829428  0.907147  0.667999  1
  Ni  Ni100  1  0.827913  0.454529  0.643176  1
  Ni  Ni101  1  0.167237  0.801349  0.716553  1
  Ni  Ni102  1  0.169541  0.358536  0.693437  1
  Ni  Ni103  1  0.332358  0.078218  0.705318  1
  Ni  Ni104  1  0.329067  0.631232  0.679700  1
  Ni  Ni105  1  0.667385  0.078218  0.705318  1
  Ni  Ni106  1  0.670676  0.631232  0.679700  1
  Ni  Ni107  1  0.832506  0.801349  0.716553  1
  Ni  Ni108  1  0.830202  0.358536  0.693437  1
