# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74955544
_cell_length_b   15.19919103
_cell_length_c   49.89325571
_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   2843.42709238
_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  1.003432  0.840900  0.274952  1
  Cr  Cr2  1  1.003432  0.332072  0.300156  1
  Cr  Cr3  1  0.503432  0.076281  0.313711  1
  Cr  Cr4  1  0.503432  0.592117  0.286791  1
  Cr  Cr5  1  1.003432  0.820152  0.326534  1
  Cr  Cr6  1  1.003432  0.305644  0.350801  1
  Cr  Cr7  1  0.503432  0.048765  0.363752  1
  Cr  Cr8  1  0.503432  0.563032  0.338126  1
  Cr  Cr9  1  1.003432  0.791691  0.376345  1
  Cr  Cr10  1  1.003432  0.278101  0.401088  1
  Cr  Cr11  1  0.503432  0.021124  0.413803  1
  Cr  Cr12  1  0.503432  0.534831  0.388510  1
  Cr  Cr13  1  1.003432  0.764095  0.426283  1
  Cr  Cr14  1  1.003432  0.250426  0.451199  1
  Cr  Cr15  1  0.503432  0.993484  0.463834  1
  Cr  Cr16  1  0.503432  0.507242  0.438632  1
  Cr  Cr17  1  1.003432  0.736588  0.476289  1
  Cr  Cr18  1  1.003432  0.222743  0.501266  1
  Cr  Cr19  1  0.503432  0.965870  0.513897  1
  Cr  Cr20  1  0.503432  0.479694  0.488680  1
  Cr  Cr21  1  1.003432  0.709103  0.526314  1
  Cr  Cr22  1  1.003432  0.195045  0.551332  1
  Cr  Cr23  1  0.503432  0.938271  0.564012  1
  Cr  Cr24  1  0.503432  0.452124  0.538677  1
  Cr  Cr25  1  1.003432  0.681632  0.576340  1
  Cr  Cr26  1  1.003432  0.167364  0.601456  1
  Cr  Cr27  1  0.503432  0.910632  0.614214  1
  Cr  Cr28  1  0.503432  0.424510  0.588606  1
  Cr  Cr29  1  1.003432  0.653975  0.626382  1
  Cr  Cr30  1  1.003432  0.140064  0.651810  1
  Cr  Cr31  1  0.503432  0.882440  0.664618  1
  Cr  Cr32  1  0.503432  0.396781  0.638476  1
  Cr  Cr33  1  1.003432  0.624952  0.676438  1
  Cr  Cr34  1  1.003432  0.115045  0.702523  1
  Cr  Cr35  1  0.503432  0.854001  0.715687  1
  Cr  Cr36  1  0.503432  0.369814  0.688585  1
  Ni  Ni37  1  0.503432  0.236881  0.322206  1
  Ni  Ni38  1  0.503432  0.751658  0.298380  1
  Ni  Ni39  1  1.003432  0.171020  0.293537  1
  Ni  Ni40  1  1.003432  0.660026  0.317866  1
  Ni  Ni41  1  1.003432  0.005987  0.285346  1
  Ni  Ni42  1  1.003432  0.495231  0.309831  1
  Ni  Ni43  1  0.503432  0.915846  0.305845  1
  Ni  Ni44  1  0.503432  0.428305  0.281704  1
  Ni  Ni45  1  0.503432  0.208481  0.371904  1
  Ni  Ni46  1  0.503432  0.721943  0.347381  1
  Ni  Ni47  1  1.003432  0.145459  0.343224  1
  Ni  Ni48  1  1.003432  0.631866  0.367871  1
  Ni  Ni49  1  1.003432  0.979181  0.334661  1
  Ni  Ni50  1  1.003432  0.465192  0.359156  1
  Ni  Ni51  1  0.503432  0.889066  0.355636  1
  Ni  Ni52  1  0.503432  0.402925  0.330579  1
  Ni  Ni53  1  0.503432  0.180843  0.421945  1
  Ni  Ni54  1  0.503432  0.694309  0.396983  1
  Ni  Ni55  1  1.003432  0.118392  0.393069  1
  Ni  Ni56  1  1.003432  0.604383  0.417963  1
  Ni  Ni57  1  1.003432  0.951507  0.384573  1
  Ni  Ni58  1  1.003432  0.437689  0.409248  1
  Ni  Ni59  1  0.503432  0.861377  0.405620  1
  Ni  Ni60  1  0.503432  0.375228  0.380324  1
  Ni  Ni61  1  0.503432  0.153165  0.472002  1
  Ni  Ni62  1  0.503432  0.666884  0.446929  1
  Ni  Ni63  1  1.003432  0.090733  0.443079  1
  Ni  Ni64  1  1.003432  0.576900  0.468000  1
  Ni  Ni65  1  1.003432  0.923831  0.434545  1
  Ni  Ni66  1  1.003432  0.410088  0.459348  1
  Ni  Ni67  1  0.503432  0.833779  0.455627  1
  Ni  Ni68  1  0.503432  0.347632  0.430407  1
  Ni  Ni69  1  0.503432  0.125496  0.522076  1
  Ni  Ni70  1  0.503432  0.639406  0.496931  1
  Ni  Ni71  1  1.003432  0.063065  0.493136  1
  Ni  Ni72  1  1.003432  0.549409  0.517999  1
  Ni  Ni73  1  1.003432  0.896258  0.484562  1
  Ni  Ni74  1  1.003432  0.382459  0.509399  1
  Ni  Ni75  1  0.503432  0.806233  0.505666  1
  Ni  Ni76  1  0.503432  0.320008  0.480476  1
  Ni  Ni77  1  0.503432  0.097833  0.572182  1
  Ni  Ni78  1  0.503432  0.611919  0.546919  1
  Ni  Ni79  1  1.003432  0.035400  0.543235  1
  Ni  Ni80  1  1.003432  0.521933  0.567927  1
  Ni  Ni81  1  1.003432  0.868719  0.534622  1
  Ni  Ni82  1  1.003432  0.354800  0.559404  1
  Ni  Ni83  1  0.503432  0.778717  0.555733  1
  Ni  Ni84  1  0.503432  0.292355  0.530511  1
  Ni  Ni85  1  0.503432  0.070271  0.622301  1
  Ni  Ni86  1  0.503432  0.584422  0.596864  1
  Ni  Ni87  1  1.003432  0.007782  0.593393  1
  Ni  Ni88  1  1.003432  0.494436  0.617668  1
  Ni  Ni89  1  1.003432  0.841187  0.584732  1
  Ni  Ni90  1  1.003432  0.327136  0.609351  1
  Ni  Ni91  1  0.503432  0.751193  0.605801  1
  Ni  Ni92  1  0.503432  0.264646  0.580527  1
  Ni  Ni93  1  0.503432  0.042957  0.672061  1
  Ni  Ni94  1  0.503432  0.556763  0.646749  1
  Ni  Ni95  1  1.003432  0.980465  0.643548  1
  Ni  Ni96  1  1.003432  0.465238  0.666788  1
  Ni  Ni97  1  1.003432  0.813535  0.634888  1
  Ni  Ni98  1  1.003432  0.300105  0.659147  1
  Ni  Ni99  1  0.503432  0.723203  0.655690  1
  Ni  Ni100  1  0.503432  0.237003  0.630567  1
  Ni  Ni101  1  0.503432  0.017997  0.720916  1
  Ni  Ni102  1  0.503432  0.530590  0.696048  1
  Ni  Ni103  1  1.003432  0.951025  0.692855  1
  Ni  Ni104  1  1.003432  0.446788  0.716460  1
  Ni  Ni105  1  1.003432  0.785822  0.684739  1
  Ni  Ni106  1  1.003432  0.277674  0.708891  1
  Ni  Ni107  1  0.503432  0.691395  0.705019  1
  Ni  Ni108  1  0.503432  0.209294  0.680351  1
