# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75000628
_cell_length_b   16.78038600
_cell_length_c   47.43079151
_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   2984.65620636
_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  1.003372  0.056674  0.309221  1
  Cr  Cr2  1  1.003372  0.588256  0.285143  1
  Cr  Cr3  1  0.503372  0.291723  0.320802  1
  Cr  Cr4  1  0.503372  0.816641  0.296536  1
  Cr  Cr5  1  1.003372  0.988835  0.357560  1
  Cr  Cr6  1  1.003372  0.523578  0.334790  1
  Cr  Cr7  1  0.503372  0.222232  0.369447  1
  Cr  Cr8  1  0.503372  0.755412  0.346476  1
  Cr  Cr9  1  1.003372  0.921150  0.405488  1
  Cr  Cr10  1  1.003372  0.454806  0.382254  1
  Cr  Cr11  1  0.503372  0.154024  0.417315  1
  Cr  Cr12  1  0.503372  0.687998  0.394090  1
  Cr  Cr13  1  1.003372  0.853329  0.453287  1
  Cr  Cr14  1  1.003372  0.386710  0.429596  1
  Cr  Cr15  1  0.503372  0.086368  0.465062  1
  Cr  Cr16  1  0.503372  0.619976  0.441667  1
  Cr  Cr17  1  1.003372  0.785310  0.500965  1
  Cr  Cr18  1  1.003372  0.319106  0.477195  1
  Cr  Cr19  1  0.503372  0.018626  0.512713  1
  Cr  Cr20  1  0.503372  0.552035  0.489267  1
  Cr  Cr21  1  1.003372  0.717269  0.548649  1
  Cr  Cr22  1  1.003372  0.251560  0.524863  1
  Cr  Cr23  1  0.503372  0.950720  0.560247  1
  Cr  Cr24  1  0.503372  0.484256  0.536966  1
  Cr  Cr25  1  1.003372  0.649448  0.596492  1
  Cr  Cr26  1  1.003372  0.183946  0.572467  1
  Cr  Cr27  1  0.503372  0.882647  0.607705  1
  Cr  Cr28  1  0.503372  0.416611  0.584763  1
  Cr  Cr29  1  1.003372  0.582310  0.644512  1
  Cr  Cr30  1  1.003372  0.115590  0.619854  1
  Cr  Cr31  1  0.503372  0.815437  0.655436  1
  Cr  Cr32  1  0.503372  0.348355  0.632642  1
  Cr  Cr33  1  1.003372  0.514464  0.692800  1
  Cr  Cr34  1  1.003372  0.045966  0.667414  1
  Cr  Cr35  1  0.503372  0.754582  0.705087  1
  Cr  Cr36  1  0.503372  0.278659  0.681279  1
  Ni  Ni37  1  0.503372  0.485929  0.299260  1
  Ni  Ni38  1  0.503372  0.953418  0.322356  1
  Ni  Ni39  1  1.003372  0.392957  0.310994  1
  Ni  Ni40  1  1.003372  0.923137  0.288098  1
  Ni  Ni41  1  1.003372  0.188938  0.334513  1
  Ni  Ni42  1  1.003372  0.719677  0.311396  1
  Ni  Ni43  1  0.503372  0.157434  0.299775  1
  Ni  Ni44  1  0.503372  0.623922  0.322967  1
  Ni  Ni45  1  0.503372  0.421498  0.347213  1
  Ni  Ni46  1  0.503372  0.886332  0.369305  1
  Ni  Ni47  1  1.003372  0.324696  0.358100  1
  Ni  Ni48  1  1.003372  0.856821  0.334716  1
  Ni  Ni49  1  1.003372  0.119415  0.381159  1
  Ni  Ni50  1  1.003372  0.653195  0.358393  1
  Ni  Ni51  1  0.503372  0.090464  0.346395  1
  Ni  Ni52  1  0.503372  0.557345  0.370710  1
  Ni  Ni53  1  0.503372  0.352008  0.393435  1
  Ni  Ni54  1  0.503372  0.819034  0.417265  1
  Ni  Ni55  1  1.003372  0.256059  0.405816  1
  Ni  Ni56  1  1.003372  0.790149  0.382327  1
  Ni  Ni57  1  1.003372  0.051948  0.428890  1
  Ni  Ni58  1  1.003372  0.585555  0.405752  1
  Ni  Ni59  1  0.503372  0.023106  0.393876  1
  Ni  Ni60  1  0.503372  0.489006  0.418220  1
  Ni  Ni61  1  0.503372  0.284638  0.440950  1
  Ni  Ni62  1  0.503372  0.750965  0.464976  1
  Ni  Ni63  1  1.003372  0.188426  0.453564  1
  Ni  Ni64  1  1.003372  0.722401  0.430012  1
  Ni  Ni65  1  1.003372  0.984224  0.476626  1
  Ni  Ni66  1  1.003372  0.517544  0.453214  1
  Ni  Ni67  1  0.503372  0.955568  0.441623  1
  Ni  Ni68  1  0.503372  0.421162  0.465787  1
  Ni  Ni69  1  0.503372  0.217127  0.488606  1
  Ni  Ni70  1  0.503372  0.682919  0.512643  1
  Ni  Ni71  1  1.003372  0.120857  0.501226  1
  Ni  Ni72  1  1.003372  0.654354  0.477658  1
  Ni  Ni73  1  1.003372  0.916283  0.524282  1
  Ni  Ni74  1  1.003372  0.449817  0.500798  1
  Ni  Ni75  1  0.503372  0.887712  0.489306  1
  Ni  Ni76  1  0.503372  0.353520  0.513446  1
  Ni  Ni77  1  0.503372  0.149516  0.536238  1
  Ni  Ni78  1  0.503372  0.615043  0.560364  1
  Ni  Ni79  1  1.003372  0.053203  0.548755  1
  Ni  Ni80  1  1.003372  0.586379  0.525354  1
  Ni  Ni81  1  1.003372  0.848227  0.571888  1
  Ni  Ni82  1  1.003372  0.382216  0.548497  1
  Ni  Ni83  1  0.503372  0.819666  0.536941  1
  Ni  Ni84  1  0.503372  0.285992  0.561133  1
  Ni  Ni85  1  0.503372  0.081678  0.583785  1
  Ni  Ni86  1  0.503372  0.547590  0.608165  1
  Ni  Ni87  1  1.003372  0.985320  0.596072  1
  Ni  Ni88  1  1.003372  0.518666  0.573143  1
  Ni  Ni89  1  1.003372  0.780375  0.619537  1
  Ni  Ni90  1  1.003372  0.314558  0.596275  1
  Ni  Ni91  1  0.503372  0.751548  0.584641  1
  Ni  Ni92  1  0.503372  0.218477  0.608686  1
  Ni  Ni93  1  0.503372  0.013163  0.631296  1
  Ni  Ni94  1  0.503372  0.480292  0.655652  1
  Ni  Ni95  1  1.003372  0.916781  0.642736  1
  Ni  Ni96  1  1.003372  0.451426  0.620932  1
  Ni  Ni97  1  1.003372  0.715279  0.667334  1
  Ni  Ni98  1  1.003372  0.245716  0.643941  1
  Ni  Ni99  1  0.503372  0.684492  0.632646  1
  Ni  Ni100  1  0.503372  0.148560  0.654935  1
  Ni  Ni101  1  0.503372  0.947210  0.678885  1
  Ni  Ni102  1  0.503372  0.413210  0.702217  1
  Ni  Ni103  1  1.003372  0.856459  0.691326  1
  Ni  Ni104  1  1.003372  0.381738  0.667540  1
  Ni  Ni105  1  1.003372  0.648263  0.713802  1
  Ni  Ni106  1  1.003372  0.177870  0.690766  1
  Ni  Ni107  1  0.503372  0.617660  0.679583  1
  Ni  Ni108  1  0.503372  0.081656  0.702356  1
