# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28446865
_cell_length_b   8.36595184
_cell_length_c   47.82734627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.62375869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr32 Ni64'
_cell_volume   2421.63944777
_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  0.051604  0.300680  0.294022  1
  Cr  Cr2  1  0.389992  0.359214  0.263938  1
  Cr  Cr3  1  0.884424  0.761260  0.309716  1
  Cr  Cr4  1  0.227140  0.827905  0.277829  1
  Cr  Cr5  1  0.365769  0.154228  0.354264  1
  Cr  Cr6  1  0.711204  0.225820  0.324519  1
  Cr  Cr7  1  0.191577  0.619620  0.368531  1
  Cr  Cr8  1  0.539093  0.688610  0.339492  1
  Cr  Cr9  1  0.672486  0.015361  0.412636  1
  Cr  Cr10  1  0.018839  0.084944  0.383371  1
  Cr  Cr11  1  0.499839  0.480368  0.427382  1
  Cr  Cr12  1  0.845488  0.550273  0.397904  1
  Cr  Cr13  1  0.980905  0.875508  0.471480  1
  Cr  Cr14  1  0.326696  0.945372  0.442062  1
  Cr  Cr15  1  0.807919  0.340615  0.486175  1
  Cr  Cr16  1  0.153920  0.410456  0.456789  1
  Cr  Cr17  1  0.288987  0.735886  0.530263  1
  Cr  Cr18  1  0.634969  0.805693  0.500877  1
  Cr  Cr19  1  0.116049  0.200940  0.544977  1
  Cr  Cr20  1  0.461964  0.270789  0.515573  1
  Cr  Cr21  1  0.597568  0.595969  0.589153  1
  Cr  Cr22  1  0.943154  0.665999  0.559673  1
  Cr  Cr23  1  0.424329  0.061132  0.603831  1
  Cr  Cr24  1  0.770189  0.130941  0.574398  1
  Cr  Cr25  1  0.903396  0.457493  0.647359  1
  Cr  Cr26  1  0.251357  0.526438  0.618450  1
  Cr  Cr27  1  0.731494  0.922519  0.662258  1
  Cr  Cr28  1  0.078009  0.992132  0.633032  1
  Cr  Cr29  1  0.208112  0.308201  0.708874  1
  Cr  Cr30  1  0.555515  0.386396  0.677131  1
  Cr  Cr31  1  0.044435  0.784224  0.723590  1
  Cr  Cr32  1  0.387978  0.849789  0.691981  1
  Ni  Ni33  1  0.661146  0.172479  0.271105  1
  Ni  Ni34  1  0.324526  0.113371  0.300835  1
  Ni  Ni35  1  0.952367  0.013574  0.276242  1
  Ni  Ni36  1  0.606837  0.942008  0.305578  1
  Ni  Ni37  1  0.158565  0.579738  0.314378  1
  Ni  Ni38  1  0.504595  0.650670  0.285582  1
  Ni  Ni39  1  0.782247  0.479348  0.289699  1
  Ni  Ni40  1  0.436537  0.407109  0.319739  1
  Ni  Ni41  1  0.983072  0.043485  0.329341  1
  Ni  Ni42  1  0.638725  0.972233  0.358484  1
  Ni  Ni43  1  0.263648  0.872346  0.334438  1
  Ni  Ni44  1  0.917996  0.802571  0.363891  1
  Ni  Ni45  1  0.465602  0.437347  0.373193  1
  Ni  Ni46  1  0.811448  0.507544  0.343817  1
  Ni  Ni47  1  0.090774  0.337139  0.349046  1
  Ni  Ni48  1  0.744980  0.267428  0.378671  1
  Ni  Ni49  1  0.292935  0.902225  0.387874  1
  Ni  Ni50  1  0.947056  0.832852  0.417279  1
  Ni  Ni51  1  0.571479  0.732461  0.393411  1
  Ni  Ni52  1  0.225289  0.662520  0.422763  1
  Ni  Ni53  1  0.774242  0.298088  0.431991  1
  Ni  Ni54  1  0.120042  0.367881  0.402564  1
  Ni  Ni55  1  0.398483  0.197563  0.408157  1
  Ni  Ni56  1  0.052325  0.127701  0.437492  1
  Ni  Ni57  1  0.601168  0.763137  0.446689  1
  Ni  Ni58  1  0.255244  0.693232  0.476081  1
  Ni  Ni59  1  0.879484  0.592781  0.452154  1
  Ni  Ni60  1  0.533603  0.522967  0.481568  1
  Ni  Ni61  1  0.082231  0.158270  0.490794  1
  Ni  Ni62  1  0.428210  0.228124  0.461406  1
  Ni  Ni63  1  0.706478  0.057856  0.466861  1
  Ni  Ni64  1  0.360614  0.988025  0.496265  1
  Ni  Ni65  1  0.909300  0.623363  0.505483  1
  Ni  Ni66  1  0.563421  0.553525  0.534900  1
  Ni  Ni67  1  0.187672  0.453116  0.510964  1
  Ni  Ni68  1  0.841706  0.383216  0.540347  1
  Ni  Ni69  1  0.390508  0.018605  0.549592  1
  Ni  Ni70  1  0.736325  0.088430  0.520190  1
  Ni  Ni71  1  0.014678  0.918181  0.525659  1
  Ni  Ni72  1  0.668703  0.848213  0.555063  1
  Ni  Ni73  1  0.217644  0.483727  0.564275  1
  Ni  Ni74  1  0.871457  0.413831  0.593579  1
  Ni  Ni75  1  0.495671  0.313299  0.569759  1
  Ni  Ni76  1  0.149805  0.243673  0.599222  1
  Ni  Ni77  1  0.698302  0.878895  0.608347  1
  Ni  Ni78  1  0.044620  0.948854  0.578940  1
  Ni  Ni79  1  0.322914  0.778467  0.584477  1
  Ni  Ni80  1  0.977185  0.709250  0.613855  1
  Ni  Ni81  1  0.524485  0.343925  0.623060  1
  Ni  Ni82  1  0.178470  0.274350  0.652900  1
  Ni  Ni83  1  0.804156  0.174199  0.628576  1
  Ni  Ni84  1  0.459324  0.104669  0.657873  1
  Ni  Ni85  1  0.006771  0.738123  0.667311  1
  Ni  Ni86  1  0.351939  0.808885  0.637914  1
  Ni  Ni87  1  0.631261  0.639182  0.643320  1
  Ni  Ni88  1  0.286614  0.566961  0.672582  1
  Ni  Ni89  1  0.832767  0.205177  0.681866  1
  Ni  Ni90  1  0.487068  0.132628  0.711600  1
  Ni  Ni91  1  0.115186  0.030429  0.686540  1
  Ni  Ni92  1  0.772119  0.970369  0.716241  1
  Ni  Ni93  1  0.326322  0.601400  0.725253  1
  Ni  Ni94  1  0.665929  0.670018  0.696377  1
  Ni  Ni95  1  0.946516  0.496489  0.701167  1
  Ni  Ni96  1  0.609829  0.432936  0.729996  1
