# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51072950
_cell_length_b   22.69868147
_cell_length_c   48.35250760
_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   2755.62145961
_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  1.010045  0.579470  0.289524  1
  Cr  Cr2  1  1.010045  0.229224  0.337113  1
  Cr  Cr3  1  1.010045  0.904089  0.312329  1
  Cr  Cr4  1  0.510045  0.404089  0.312329  1
  Cr  Cr5  1  0.510045  0.079470  0.289524  1
  Cr  Cr6  1  0.510045  0.729224  0.337113  1
  Cr  Cr7  1  1.010045  0.554887  0.360173  1
  Cr  Cr8  1  1.010045  0.205702  0.408001  1
  Cr  Cr9  1  1.010045  0.880273  0.383907  1
  Cr  Cr10  1  0.510045  0.380273  0.383907  1
  Cr  Cr11  1  0.510045  0.054887  0.360173  1
  Cr  Cr12  1  0.510045  0.705702  0.408001  1
  Cr  Cr13  1  1.010045  0.530945  0.431652  1
  Cr  Cr14  1  1.010045  0.182047  0.479371  1
  Cr  Cr15  1  1.010045  0.856684  0.455591  1
  Cr  Cr16  1  0.510045  0.356684  0.455591  1
  Cr  Cr17  1  0.510045  0.030945  0.431652  1
  Cr  Cr18  1  0.510045  0.682047  0.479371  1
  Cr  Cr19  1  1.010045  0.507502  0.503211  1
  Cr  Cr20  1  1.010045  0.158604  0.550931  1
  Cr  Cr21  1  1.010045  0.832864  0.526991  1
  Cr  Cr22  1  0.510045  0.332864  0.526991  1
  Cr  Cr23  1  0.510045  0.007502  0.503211  1
  Cr  Cr24  1  0.510045  0.658604  0.550931  1
  Cr  Cr25  1  1.010045  0.483846  0.574582  1
  Cr  Cr26  1  1.010045  0.134662  0.622409  1
  Cr  Cr27  1  1.010045  0.809275  0.598676  1
  Cr  Cr28  1  0.510045  0.309275  0.598676  1
  Cr  Cr29  1  0.510045  0.983846  0.574582  1
  Cr  Cr30  1  0.510045  0.634662  0.622409  1
  Cr  Cr31  1  1.010045  0.460324  0.645470  1
  Cr  Cr32  1  1.010045  0.110078  0.693059  1
  Cr  Cr33  1  1.010045  0.785459  0.670254  1
  Cr  Cr34  1  0.510045  0.285459  0.670254  1
  Cr  Cr35  1  0.510045  0.960324  0.645470  1
  Cr  Cr36  1  0.510045  0.610078  0.693059  1
  Ni  Ni37  1  0.510045  0.294813  0.304667  1
  Ni  Ni38  1  0.510045  0.973080  0.281168  1
  Ni  Ni39  1  0.510045  0.621960  0.328641  1
  Ni  Ni40  1  1.010045  0.337045  0.344204  1
  Ni  Ni41  1  1.010045  0.012429  0.320607  1
  Ni  Ni42  1  1.010045  0.687897  0.296853  1
  Ni  Ni43  1  1.010045  0.473080  0.281168  1
  Ni  Ni44  1  1.010045  0.121960  0.328641  1
  Ni  Ni45  1  1.010045  0.794813  0.304667  1
  Ni  Ni46  1  0.510045  0.512429  0.320607  1
  Ni  Ni47  1  0.510045  0.187897  0.296853  1
  Ni  Ni48  1  0.510045  0.837045  0.344204  1
  Ni  Ni49  1  0.510045  0.272380  0.376427  1
  Ni  Ni50  1  0.510045  0.946379  0.351861  1
  Ni  Ni51  1  0.510045  0.597388  0.400058  1
  Ni  Ni52  1  1.010045  0.313963  0.415900  1
  Ni  Ni53  1  1.010045  0.988108  0.391703  1
  Ni  Ni54  1  1.010045  0.662655  0.368461  1
  Ni  Ni55  1  1.010045  0.446379  0.351861  1
  Ni  Ni56  1  1.010045  0.097388  0.400058  1
  Ni  Ni57  1  1.010045  0.772380  0.376427  1
  Ni  Ni58  1  0.510045  0.488108  0.391703  1
  Ni  Ni59  1  0.510045  0.162655  0.368461  1
  Ni  Ni60  1  0.510045  0.813963  0.415900  1
  Ni  Ni61  1  0.510045  0.248583  0.447658  1
  Ni  Ni62  1  0.510045  0.923108  0.423724  1
  Ni  Ni63  1  0.510045  0.573926  0.471450  1
  Ni  Ni64  1  1.010045  0.290099  0.487275  1
  Ni  Ni65  1  1.010045  0.964616  0.463447  1
  Ni  Ni66  1  1.010045  0.639122  0.439651  1
  Ni  Ni67  1  1.010045  0.423108  0.423724  1
  Ni  Ni68  1  1.010045  0.073926  0.471450  1
  Ni  Ni69  1  1.010045  0.748583  0.447658  1
  Ni  Ni70  1  0.510045  0.464616  0.463447  1
  Ni  Ni71  1  0.510045  0.139122  0.439651  1
  Ni  Ni72  1  0.510045  0.790099  0.487275  1
  Ni  Ni73  1  0.510045  0.224932  0.519135  1
  Ni  Ni74  1  0.510045  0.899449  0.495307  1
  Ni  Ni75  1  0.510045  0.550426  0.542932  1
  Ni  Ni76  1  1.010045  0.266440  0.558858  1
  Ni  Ni77  1  1.010045  0.940965  0.534924  1
  Ni  Ni78  1  1.010045  0.615622  0.511132  1
  Ni  Ni79  1  1.010045  0.399449  0.495307  1
  Ni  Ni80  1  1.010045  0.050426  0.542932  1
  Ni  Ni81  1  1.010045  0.724932  0.519135  1
  Ni  Ni82  1  0.510045  0.440965  0.534924  1
  Ni  Ni83  1  0.510045  0.115622  0.511132  1
  Ni  Ni84  1  0.510045  0.766440  0.558858  1
  Ni  Ni85  1  0.510045  0.201441  0.590879  1
  Ni  Ni86  1  0.510045  0.875585  0.566683  1
  Ni  Ni87  1  0.510045  0.526894  0.614122  1
  Ni  Ni88  1  1.010045  0.243170  0.630722  1
  Ni  Ni89  1  1.010045  0.917168  0.606155  1
  Ni  Ni90  1  1.010045  0.592161  0.582525  1
  Ni  Ni91  1  1.010045  0.375585  0.566683  1
  Ni  Ni92  1  1.010045  0.026894  0.614122  1
  Ni  Ni93  1  1.010045  0.701441  0.590879  1
  Ni  Ni94  1  0.510045  0.417168  0.606155  1
  Ni  Ni95  1  0.510045  0.092161  0.582525  1
  Ni  Ni96  1  0.510045  0.743170  0.630722  1
  Ni  Ni97  1  0.510045  0.177119  0.661976  1
  Ni  Ni98  1  0.510045  0.852504  0.638378  1
  Ni  Ni99  1  0.510045  0.501652  0.685729  1
  Ni  Ni100  1  1.010045  0.216469  0.701414  1
  Ni  Ni101  1  1.010045  0.894735  0.677916  1
  Ni  Ni102  1  1.010045  0.567588  0.653942  1
  Ni  Ni103  1  1.010045  0.352504  0.638378  1
  Ni  Ni104  1  1.010045  1.001652  0.685729  1
  Ni  Ni105  1  1.010045  0.677119  0.661976  1
  Ni  Ni106  1  0.510045  0.394735  0.677916  1
  Ni  Ni107  1  0.510045  0.067588  0.653942  1
  Ni  Ni108  1  0.510045  0.716469  0.701414  1
