# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34847979
_cell_length_b   22.83628328
_cell_length_c   46.59025953
_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   'Cr48 Ni96'
_cell_volume   3562.60959745
_cell_formula_units_Z   48
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  0.512561  0.934386  0.272876  1
  Cr  Cr2  1  0.512561  0.263589  0.290363  1
  Cr  Cr3  1  0.512561  0.591933  0.309428  1
  Cr  Cr4  1  1.012561  0.091933  0.309428  1
  Cr  Cr5  1  1.012561  0.434386  0.272876  1
  Cr  Cr6  1  1.012561  0.763589  0.290363  1
  Cr  Cr7  1  0.512561  0.920819  0.327779  1
  Cr  Cr8  1  0.512561  0.250126  0.346024  1
  Cr  Cr9  1  0.512561  0.579285  0.364473  1
  Cr  Cr10  1  1.012561  0.079285  0.364473  1
  Cr  Cr11  1  1.012561  0.420819  0.327779  1
  Cr  Cr12  1  1.012561  0.750126  0.346024  1
  Cr  Cr13  1  0.512561  0.908259  0.383263  1
  Cr  Cr14  1  0.512561  0.237271  0.401689  1
  Cr  Cr15  1  0.512561  0.566317  0.420327  1
  Cr  Cr16  1  1.012561  0.066317  0.420327  1
  Cr  Cr17  1  1.012561  0.408259  0.383263  1
  Cr  Cr18  1  1.012561  0.737271  0.401689  1
  Cr  Cr19  1  0.512561  0.895307  0.438995  1
  Cr  Cr20  1  0.512561  0.224319  0.457508  1
  Cr  Cr21  1  0.512561  0.553355  0.476112  1
  Cr  Cr22  1  1.012561  0.053355  0.476112  1
  Cr  Cr23  1  1.012561  0.395307  0.438995  1
  Cr  Cr24  1  1.012561  0.724319  0.457508  1
  Cr  Cr25  1  0.512561  0.882329  0.494747  1
  Cr  Cr26  1  0.512561  0.211385  0.513304  1
  Cr  Cr27  1  0.512561  0.540386  0.531874  1
  Cr  Cr28  1  1.012561  0.040386  0.531874  1
  Cr  Cr29  1  1.012561  0.382329  0.494747  1
  Cr  Cr30  1  1.012561  0.711385  0.513304  1
  Cr  Cr31  1  0.512561  0.869330  0.550533  1
  Cr  Cr32  1  0.512561  0.198452  0.569082  1
  Cr  Cr33  1  0.512561  0.527379  0.587586  1
  Cr  Cr34  1  1.012561  0.027379  0.587586  1
  Cr  Cr35  1  1.012561  0.369330  0.550533  1
  Cr  Cr36  1  1.012561  0.698452  0.569082  1
  Cr  Cr37  1  0.512561  0.856347  0.606405  1
  Cr  Cr38  1  0.512561  0.185586  0.624870  1
  Cr  Cr39  1  0.512561  0.514483  0.643091  1
  Cr  Cr40  1  1.012561  0.014483  0.643091  1
  Cr  Cr41  1  1.012561  0.356347  0.606405  1
  Cr  Cr42  1  1.012561  0.685586  0.624870  1
  Cr  Cr43  1  0.512561  0.843793  0.661651  1
  Cr  Cr44  1  0.512561  0.172117  0.679407  1
  Cr  Cr45  1  0.512561  0.501840  0.698563  1
  Cr  Cr46  1  1.012561  0.001840  0.698563  1
  Cr  Cr47  1  1.012561  0.343793  0.661651  1
  Cr  Cr48  1  1.012561  0.672117  0.679407  1
  Ni  Ni49  1  1.012561  0.201451  0.315764  1
  Ni  Ni50  1  1.012561  0.542917  0.279569  1
  Ni  Ni51  1  1.012561  0.871519  0.297595  1
  Ni  Ni52  1  0.512561  0.153320  0.285559  1
  Ni  Ni53  1  0.512561  0.482234  0.303935  1
  Ni  Ni54  1  0.512561  0.811427  0.322230  1
  Ni  Ni55  1  0.512561  0.042917  0.279569  1
  Ni  Ni56  1  0.512561  0.371519  0.297595  1
  Ni  Ni57  1  0.512561  0.701451  0.315764  1
  Ni  Ni58  1  1.012561  0.982234  0.303935  1
  Ni  Ni59  1  1.012561  0.311427  0.322230  1
  Ni  Ni60  1  1.012561  0.653320  0.285559  1
  Ni  Ni61  1  1.012561  0.188373  0.370817  1
  Ni  Ni62  1  1.012561  0.530255  0.333891  1
  Ni  Ni63  1  1.012561  0.859303  0.352427  1
  Ni  Ni64  1  0.512561  0.141037  0.339941  1
  Ni  Ni65  1  0.512561  0.469944  0.358649  1
  Ni  Ni66  1  0.512561  0.799009  0.377195  1
  Ni  Ni67  1  0.512561  0.030255  0.333891  1
  Ni  Ni68  1  0.512561  0.359303  0.352427  1
  Ni  Ni69  1  0.512561  0.688373  0.370817  1
  Ni  Ni70  1  1.012561  0.969944  0.358649  1
  Ni  Ni71  1  1.012561  0.299009  0.377195  1
  Ni  Ni72  1  1.012561  0.641037  0.339941  1
  Ni  Ni73  1  1.012561  0.175462  0.426496  1
  Ni  Ni74  1  1.012561  0.517503  0.389385  1
  Ni  Ni75  1  1.012561  0.846451  0.408028  1
  Ni  Ni76  1  0.512561  0.128057  0.395559  1
  Ni  Ni77  1  0.512561  0.457139  0.414265  1
  Ni  Ni78  1  0.512561  0.786095  0.432841  1
  Ni  Ni79  1  0.512561  0.017503  0.389385  1
  Ni  Ni80  1  0.512561  0.346451  0.408028  1
  Ni  Ni81  1  0.512561  0.675462  0.426496  1
  Ni  Ni82  1  1.012561  0.957139  0.414265  1
  Ni  Ni83  1  1.012561  0.286095  0.432841  1
  Ni  Ni84  1  1.012561  0.628057  0.395559  1
  Ni  Ni85  1  1.012561  0.162528  0.482266  1
  Ni  Ni86  1  1.012561  0.504499  0.445141  1
  Ni  Ni87  1  1.012561  0.833473  0.463750  1
  Ni  Ni88  1  0.512561  0.115167  0.451349  1
  Ni  Ni89  1  0.512561  0.444163  0.469987  1
  Ni  Ni90  1  0.512561  0.773165  0.488591  1
  Ni  Ni91  1  0.512561  0.004499  0.445141  1
  Ni  Ni92  1  0.512561  0.333473  0.463750  1
  Ni  Ni93  1  0.512561  0.662528  0.482266  1
  Ni  Ni94  1  1.012561  0.944163  0.469987  1
  Ni  Ni95  1  1.012561  0.273165  0.488591  1
  Ni  Ni96  1  1.012561  0.615167  0.451349  1
  Ni  Ni97  1  1.012561  0.149595  0.538010  1
  Ni  Ni98  1  1.012561  0.491529  0.500875  1
  Ni  Ni99  1  1.012561  0.820512  0.519516  1
  Ni  Ni100  1  0.512561  0.102214  0.507101  1
  Ni  Ni101  1  0.512561  0.431177  0.525716  1
  Ni  Ni102  1  0.512561  0.760239  0.544377  1
  Ni  Ni103  1  0.512561  0.991529  0.500875  1
  Ni  Ni104  1  0.512561  0.320512  0.519516  1
  Ni  Ni105  1  0.512561  0.649595  0.538010  1
  Ni  Ni106  1  1.012561  0.931177  0.525716  1
  Ni  Ni107  1  1.012561  0.260239  0.544377  1
  Ni  Ni108  1  1.012561  0.602214  0.507101  1
  Ni  Ni109  1  1.012561  0.136745  0.593744  1
  Ni  Ni110  1  1.012561  0.478531  0.556585  1
  Ni  Ni111  1  1.012561  0.807558  0.575358  1
  Ni  Ni112  1  0.512561  0.089278  0.562816  1
  Ni  Ni113  1  0.512561  0.418117  0.581454  1
  Ni  Ni114  1  0.512561  0.747263  0.600168  1
  Ni  Ni115  1  0.512561  0.978531  0.556585  1
  Ni  Ni116  1  0.512561  0.307558  0.575358  1
  Ni  Ni117  1  0.512561  0.636745  0.593744  1
  Ni  Ni118  1  1.012561  0.918117  0.581454  1
  Ni  Ni119  1  1.012561  0.247263  0.600168  1
  Ni  Ni120  1  1.012561  0.589278  0.562816  1
  Ni  Ni121  1  1.012561  0.123573  0.649043  1
  Ni  Ni122  1  1.012561  0.465573  0.612170  1
  Ni  Ni123  1  1.012561  0.794685  0.631121  1
  Ni  Ni124  1  0.512561  0.076275  0.618308  1
  Ni  Ni125  1  0.512561  0.405316  0.637048  1
  Ni  Ni126  1  0.512561  0.734662  0.655670  1
  Ni  Ni127  1  0.512561  0.965573  0.612170  1
  Ni  Ni128  1  0.512561  0.294685  0.631121  1
  Ni  Ni129  1  0.512561  0.623573  0.649043  1
  Ni  Ni130  1  1.012561  0.905316  0.637048  1
  Ni  Ni131  1  1.012561  0.234662  0.655670  1
  Ni  Ni132  1  1.012561  0.576275  0.618308  1
  Ni  Ni133  1  1.012561  0.111209  0.703485  1
  Ni  Ni134  1  1.012561  0.453254  0.667069  1
  Ni  Ni135  1  1.012561  0.782933  0.686274  1
  Ni  Ni136  1  0.512561  0.063273  0.673168  1
  Ni  Ni137  1  0.512561  0.393170  0.691503  1
  Ni  Ni138  1  0.512561  0.720132  0.709154  1
  Ni  Ni139  1  0.512561  0.953254  0.667069  1
  Ni  Ni140  1  0.512561  0.282933  0.686274  1
  Ni  Ni141  1  0.512561  0.611209  0.703485  1
  Ni  Ni142  1  1.012561  0.893170  0.691503  1
  Ni  Ni143  1  1.012561  0.220132  0.709154  1
  Ni  Ni144  1  1.012561  0.563273  0.673168  1
