# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52687030
_cell_length_b   18.26308825
_cell_length_c   48.44887012
_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   'Cr32 Ni64'
_cell_volume   2235.84051634
_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  1.006787  0.470038  0.293427  1
  Cr  Cr2  1  1.006787  0.028797  0.265034  1
  Cr  Cr3  1  0.506787  0.246799  0.279244  1
  Cr  Cr4  1  0.506787  0.693733  0.307931  1
  Cr  Cr5  1  1.006787  0.361971  0.352318  1
  Cr  Cr6  1  1.006787  0.916661  0.323166  1
  Cr  Cr7  1  0.506787  0.139121  0.337970  1
  Cr  Cr8  1  0.506787  0.584904  0.366820  1
  Cr  Cr9  1  1.006787  0.253856  0.411258  1
  Cr  Cr10  1  1.006787  0.807784  0.381341  1
  Cr  Cr11  1  0.506787  0.030775  0.396659  1
  Cr  Cr12  1  0.506787  0.476716  0.425750  1
  Cr  Cr13  1  1.006787  0.145345  0.470174  1
  Cr  Cr14  1  1.006787  0.699468  0.440341  1
  Cr  Cr15  1  0.506787  0.922312  0.455269  1
  Cr  Cr16  1  0.506787  0.368318  0.484842  1
  Cr  Cr17  1  1.006787  0.036897  0.528909  1
  Cr  Cr18  1  1.006787  0.591162  0.499400  1
  Cr  Cr19  1  0.506787  0.813975  0.514040  1
  Cr  Cr20  1  0.506787  0.259954  0.543581  1
  Cr  Cr21  1  1.006787  0.928505  0.587741  1
  Cr  Cr22  1  1.006787  0.482796  0.558467  1
  Cr  Cr23  1  0.506787  0.705606  0.573059  1
  Cr  Cr24  1  0.506787  0.151316  0.602668  1
  Cr  Cr25  1  1.006787  0.820404  0.646555  1
  Cr  Cr26  1  1.006787  0.374390  0.617465  1
  Cr  Cr27  1  0.506787  0.597484  0.631903  1
  Cr  Cr28  1  0.506787  0.043098  0.661157  1
  Cr  Cr29  1  1.006787  0.711787  0.705257  1
  Cr  Cr30  1  1.006787  0.266558  0.675039  1
  Cr  Cr31  1  0.506787  0.488491  0.690847  1
  Cr  Cr32  1  0.506787  0.933742  0.719617  1
  Ni  Ni33  1  0.506787  0.026694  0.308768  1
  Ni  Ni34  1  0.506787  0.582350  0.279355  1
  Ni  Ni35  1  1.006787  0.136284  0.294091  1
  Ni  Ni36  1  1.006787  0.582039  0.322723  1
  Ni  Ni37  1  1.006787  0.358388  0.264803  1
  Ni  Ni38  1  1.006787  0.806779  0.293122  1
  Ni  Ni39  1  0.506787  0.358505  0.308158  1
  Ni  Ni40  1  0.506787  0.916497  0.278648  1
  Ni  Ni41  1  0.506787  0.918708  0.367224  1
  Ni  Ni42  1  0.506787  0.472551  0.337296  1
  Ni  Ni43  1  1.006787  0.028406  0.352531  1
  Ni  Ni44  1  1.006787  0.474120  0.381362  1
  Ni  Ni45  1  1.006787  0.249728  0.323036  1
  Ni  Ni46  1  1.006787  0.695811  0.351846  1
  Ni  Ni47  1  0.506787  0.251238  0.366976  1
  Ni  Ni48  1  0.506787  0.805497  0.336962  1
  Ni  Ni49  1  0.506787  0.810247  0.425727  1
  Ni  Ni50  1  0.506787  0.364707  0.396590  1
  Ni  Ni51  1  1.006787  0.919775  0.411046  1
  Ni  Ni52  1  1.006787  0.365875  0.440532  1
  Ni  Ni53  1  1.006787  0.141788  0.382138  1
  Ni  Ni54  1  1.006787  0.587526  0.411107  1
  Ni  Ni55  1  0.506787  0.142902  0.425963  1
  Ni  Ni56  1  0.506787  0.696968  0.395928  1
  Ni  Ni57  1  0.506787  0.701980  0.484711  1
  Ni  Ni58  1  0.506787  0.256319  0.455511  1
  Ni  Ni59  1  1.006787  0.811440  0.469715  1
  Ni  Ni60  1  1.006787  0.257420  0.499389  1
  Ni  Ni61  1  1.006787  0.033263  0.440829  1
  Ni  Ni62  1  1.006787  0.479181  0.470118  1
  Ni  Ni63  1  0.506787  0.034393  0.484684  1
  Ni  Ni64  1  0.506787  0.588654  0.455076  1
  Ni  Ni65  1  0.506787  0.593642  0.543720  1
  Ni  Ni66  1  0.506787  0.147837  0.514409  1
  Ni  Ni67  1  1.006787  0.703127  0.528705  1
  Ni  Ni68  1  1.006787  0.148969  0.558322  1
  Ni  Ni69  1  1.006787  0.924831  0.499531  1
  Ni  Ni70  1  1.006787  0.370861  0.529140  1
  Ni  Ni71  1  0.506787  0.925977  0.543454  1
  Ni  Ni72  1  0.506787  0.480336  0.514107  1
  Ni  Ni73  1  0.506787  0.485268  0.602853  1
  Ni  Ni74  1  0.506787  0.039392  0.573140  1
  Ni  Ni75  1  1.006787  0.594766  0.587667  1
  Ni  Ni76  1  1.006787  0.040516  0.617014  1
  Ni  Ni77  1  1.006787  0.816453  0.558356  1
  Ni  Ni78  1  1.006787  0.262326  0.587726  1
  Ni  Ni79  1  0.506787  0.817673  0.602287  1
  Ni  Ni80  1  0.506787  0.371954  0.573110  1
  Ni  Ni81  1  0.506787  0.377314  0.661714  1
  Ni  Ni82  1  0.506787  0.931073  0.632045  1
  Ni  Ni83  1  1.006787  0.486722  0.646880  1
  Ni  Ni84  1  1.006787  0.932890  0.676033  1
  Ni  Ni85  1  1.006787  0.708278  0.617406  1
  Ni  Ni86  1  1.006787  0.153865  0.647152  1
  Ni  Ni87  1  0.506787  0.709585  0.661416  1
  Ni  Ni88  1  0.506787  0.263394  0.631388  1
  Ni  Ni89  1  0.506787  0.266131  0.719468  1
  Ni  Ni90  1  0.506787  0.823332  0.690622  1
  Ni  Ni91  1  1.006787  0.375353  0.705578  1
  Ni  Ni92  1  1.006787  0.822382  0.734100  1
  Ni  Ni93  1  1.006787  0.600096  0.676023  1
  Ni  Ni94  1  1.006787  0.046273  0.705367  1
  Ni  Ni95  1  0.506787  0.599736  0.719440  1
  Ni  Ni96  1  0.506787  0.156006  0.691339  1
