# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35654687
_cell_length_b   17.01210935
_cell_length_c   46.23140810
_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   2639.90320398
_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  0.511330  0.082078  0.294667  1
  Cr  Cr2  1  0.511330  0.622441  0.271180  1
  Cr  Cr3  1  1.011330  0.316017  0.306844  1
  Cr  Cr4  1  1.011330  0.848883  0.282820  1
  Cr  Cr5  1  0.511330  0.014416  0.344934  1
  Cr  Cr6  1  0.511330  0.549627  0.320536  1
  Cr  Cr7  1  1.011330  0.247190  0.357212  1
  Cr  Cr8  1  1.011330  0.781892  0.332984  1
  Cr  Cr9  1  0.511330  0.944688  0.395190  1
  Cr  Cr10  1  0.511330  0.479149  0.370015  1
  Cr  Cr11  1  1.011330  0.177138  0.407454  1
  Cr  Cr12  1  1.011330  0.711897  0.382974  1
  Cr  Cr13  1  0.511330  0.874575  0.445423  1
  Cr  Cr14  1  0.511330  0.409237  0.420124  1
  Cr  Cr15  1  1.011330  0.107154  0.457801  1
  Cr  Cr16  1  1.011330  0.641705  0.432956  1
  Cr  Cr17  1  0.511330  0.804456  0.495532  1
  Cr  Cr18  1  0.511330  0.339351  0.470355  1
  Cr  Cr19  1  1.011330  0.037114  0.508033  1
  Cr  Cr20  1  1.011330  0.571706  0.483007  1
  Cr  Cr21  1  0.511330  0.734371  0.545620  1
  Cr  Cr22  1  0.511330  0.269416  0.520577  1
  Cr  Cr23  1  1.011330  0.967045  0.558165  1
  Cr  Cr24  1  1.011330  0.501733  0.533150  1
  Cr  Cr25  1  0.511330  0.664310  0.595789  1
  Cr  Cr26  1  0.511330  0.199459  0.570823  1
  Cr  Cr27  1  1.011330  0.896945  0.608314  1
  Cr  Cr28  1  1.011330  0.431771  0.583402  1
  Cr  Cr29  1  0.511330  0.594512  0.645917  1
  Cr  Cr30  1  0.511330  0.129543  0.620994  1
  Cr  Cr31  1  1.011330  0.826890  0.658129  1
  Cr  Cr32  1  1.011330  0.361791  0.633540  1
  Cr  Cr33  1  0.511330  0.526475  0.696109  1
  Cr  Cr34  1  0.511330  0.060040  0.670050  1
  Cr  Cr35  1  1.011330  0.758394  0.707980  1
  Cr  Cr36  1  1.011330  0.293412  0.683831  1
  Ni  Ni37  1  1.011330  0.517856  0.283425  1
  Ni  Ni38  1  1.011330  0.980227  0.308218  1
  Ni  Ni39  1  0.511330  0.418424  0.295622  1
  Ni  Ni40  1  0.511330  0.949532  0.272079  1
  Ni  Ni41  1  0.511330  0.213790  0.320508  1
  Ni  Ni42  1  0.511330  0.748271  0.296353  1
  Ni  Ni43  1  1.011330  0.183704  0.284341  1
  Ni  Ni44  1  1.011330  0.649063  0.309054  1
  Ni  Ni45  1  1.011330  0.447574  0.332312  1
  Ni  Ni46  1  1.011330  0.912876  0.357697  1
  Ni  Ni47  1  0.511330  0.348064  0.344664  1
  Ni  Ni48  1  0.511330  0.881915  0.320504  1
  Ni  Ni49  1  0.511330  0.145404  0.369848  1
  Ni  Ni50  1  0.511330  0.680467  0.345646  1
  Ni  Ni51  1  1.011330  0.114666  0.332527  1
  Ni  Ni52  1  1.011330  0.580377  0.358172  1
  Ni  Ni53  1  1.011330  0.377883  0.382215  1
  Ni  Ni54  1  1.011330  0.843078  0.407852  1
  Ni  Ni55  1  0.511330  0.278415  0.395051  1
  Ni  Ni56  1  0.511330  0.813359  0.370622  1
  Ni  Ni57  1  0.511330  0.075688  0.420102  1
  Ni  Ni58  1  0.511330  0.610172  0.395382  1
  Ni  Ni59  1  1.011330  0.045905  0.382750  1
  Ni  Ni60  1  1.011330  0.510406  0.407921  1
  Ni  Ni61  1  1.011330  0.308012  0.432500  1
  Ni  Ni62  1  1.011330  0.772961  0.457894  1
  Ni  Ni63  1  0.511330  0.208466  0.445315  1
  Ni  Ni64  1  0.511330  0.743258  0.420608  1
  Ni  Ni65  1  0.511330  0.005701  0.470301  1
  Ni  Ni66  1  0.511330  0.540184  0.445303  1
  Ni  Ni67  1  1.011330  0.976035  0.432947  1
  Ni  Ni68  1  1.011330  0.440575  0.458004  1
  Ni  Ni69  1  1.011330  0.238070  0.482752  1
  Ni  Ni70  1  1.011330  0.702921  0.507941  1
  Ni  Ni71  1  0.511330  0.138491  0.495597  1
  Ni  Ni72  1  0.511330  0.673190  0.470623  1
  Ni  Ni73  1  0.511330  0.935670  0.520435  1
  Ni  Ni74  1  0.511330  0.470304  0.495397  1
  Ni  Ni75  1  1.011330  0.905991  0.483101  1
  Ni  Ni76  1  1.011330  0.370715  0.508184  1
  Ni  Ni77  1  1.011330  0.168104  0.533010  1
  Ni  Ni78  1  1.011330  0.632933  0.558039  1
  Ni  Ni79  1  0.511330  0.068504  0.545807  1
  Ni  Ni80  1  0.511330  0.603206  0.520699  1
  Ni  Ni81  1  0.511330  0.865634  0.570533  1
  Ni  Ni82  1  0.511330  0.400398  0.545588  1
  Ni  Ni83  1  1.011330  0.835945  0.533189  1
  Ni  Ni84  1  1.011330  0.300801  0.558369  1
  Ni  Ni85  1  1.011330  0.098103  0.583247  1
  Ni  Ni86  1  1.011330  0.563055  0.608133  1
  Ni  Ni87  1  0.511330  -0.001621  0.595859  1
  Ni  Ni88  1  0.511330  0.533257  0.570811  1
  Ni  Ni89  1  0.511330  0.795620  0.620479  1
  Ni  Ni90  1  0.511330  0.330483  0.595755  1
  Ni  Ni91  1  1.011330  0.765889  0.583213  1
  Ni  Ni92  1  1.011330  0.230943  0.608587  1
  Ni  Ni93  1  1.011330  0.027982  0.633116  1
  Ni  Ni94  1  1.011330  0.494147  0.658248  1
  Ni  Ni95  1  0.511330  0.928382  0.645962  1
  Ni  Ni96  1  0.511330  0.463537  0.620961  1
  Ni  Ni97  1  0.511330  0.727074  0.670491  1
  Ni  Ni98  1  0.511330  0.261172  0.646017  1
  Ni  Ni99  1  1.011330  0.696068  0.633271  1
  Ni  Ni100  1  1.011330  0.161930  0.658325  1
  Ni  Ni101  1  1.011330  0.960725  0.683015  1
  Ni  Ni102  1  1.011330  0.425162  0.706504  1
  Ni  Ni103  1  0.511330  0.860934  0.694985  1
  Ni  Ni104  1  0.511330  0.395246  0.670242  1
  Ni  Ni105  1  0.511330  0.658222  0.718850  1
  Ni  Ni106  1  0.511330  0.191678  0.694942  1
  Ni  Ni107  1  1.011330  0.628175  0.682572  1
  Ni  Ni108  1  1.011330  0.093233  0.706468  1
