# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51662160
_cell_length_b   23.49193034
_cell_length_c   49.97000211
_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   'Cr42 Ni84'
_cell_volume   2954.24148492
_cell_formula_units_Z   42
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  1.008851  0.165431  0.269929  1
  Cr  Cr2  1  1.008851  0.818342  0.290446  1
  Cr  Cr3  1  1.008851  0.469612  0.313861  1
  Cr  Cr4  1  0.508851  0.993648  0.280216  1
  Cr  Cr5  1  0.508851  0.643703  0.303048  1
  Cr  Cr6  1  0.508851  0.295383  0.324619  1
  Cr  Cr7  1  1.008851  0.121935  0.335598  1
  Cr  Cr8  1  1.008851  0.774007  0.357388  1
  Cr  Cr9  1  1.008851  0.425583  0.379564  1
  Cr  Cr10  1  0.508851  0.947617  0.346540  1
  Cr  Cr11  1  0.508851  0.599732  0.368455  1
  Cr  Cr12  1  0.508851  0.251862  0.391209  1
  Cr  Cr13  1  1.008851  0.077726  0.402231  1
  Cr  Cr14  1  1.008851  0.729854  0.424382  1
  Cr  Cr15  1  1.008851  0.382035  0.446678  1
  Cr  Cr16  1  0.508851  0.903668  0.413022  1
  Cr  Cr17  1  0.508851  0.555921  0.435476  1
  Cr  Cr18  1  0.508851  0.207967  0.457781  1
  Cr  Cr19  1  1.008851  0.033769  0.468755  1
  Cr  Cr20  1  1.008851  0.685906  0.491085  1
  Cr  Cr21  1  1.008851  0.338161  0.513381  1
  Cr  Cr22  1  0.508851  0.859771  0.479873  1
  Cr  Cr23  1  0.508851  0.512042  0.502213  1
  Cr  Cr24  1  0.508851  0.164001  0.524348  1
  Cr  Cr25  1  1.008851  0.989825  0.535411  1
  Cr  Cr26  1  1.008851  0.641975  0.557819  1
  Cr  Cr27  1  1.008851  0.294184  0.579955  1
  Cr  Cr28  1  0.508851  0.815849  0.546661  1
  Cr  Cr29  1  0.508851  0.468252  0.569142  1
  Cr  Cr30  1  0.508851  0.120084  0.590852  1
  Cr  Cr31  1  1.008851  0.946054  0.602053  1
  Cr  Cr32  1  1.008851  0.597869  0.624839  1
  Cr  Cr33  1  1.008851  0.250245  0.646474  1
  Cr  Cr34  1  0.508851  0.772171  0.613813  1
  Cr  Cr35  1  0.508851  0.424136  0.635723  1
  Cr  Cr36  1  0.508851  0.076139  0.657648  1
  Cr  Cr37  1  1.008851  0.902686  0.668663  1
  Cr  Cr38  1  1.008851  0.553510  0.691774  1
  Cr  Cr39  1  1.008851  0.204884  0.712479  1
  Cr  Cr40  1  0.508851  0.728404  0.679198  1
  Cr  Cr41  1  0.508851  0.378057  0.702034  1
  Cr  Cr42  1  0.508851  0.032975  0.723215  1
  Ni  Ni43  1  0.508851  0.894092  0.265354  1
  Ni  Ni44  1  0.508851  0.542334  0.286471  1
  Ni  Ni45  1  0.508851  0.195159  0.309872  1
  Ni  Ni46  1  1.008851  0.919613  0.305597  1
  Ni  Ni47  1  1.008851  0.616362  0.262115  1
  Ni  Ni48  1  1.008851  0.266755  0.283472  1
  Ni  Ni49  1  1.008851  0.020708  0.320969  1
  Ni  Ni50  1  1.008851  0.715682  0.276083  1
  Ni  Ni51  1  1.008851  0.368049  0.297335  1
  Ni  Ni52  1  0.508851  0.092958  0.295165  1
  Ni  Ni53  1  0.508851  0.744698  0.316570  1
  Ni  Ni54  1  0.508851  0.442168  0.272978  1
  Ni  Ni55  1  0.508851  0.846910  0.331081  1
  Ni  Ni56  1  0.508851  0.498765  0.354233  1
  Ni  Ni57  1  0.508851  0.150788  0.376444  1
  Ni  Ni58  1  1.008851  0.874471  0.372077  1
  Ni  Ni59  1  1.008851  0.569947  0.327552  1
  Ni  Ni60  1  1.008851  0.222605  0.350509  1
  Ni  Ni61  1  1.008851  0.976770  0.387309  1
  Ni  Ni62  1  1.008851  0.673188  0.343176  1
  Ni  Ni63  1  1.008851  0.324817  0.365278  1
  Ni  Ni64  1  0.508851  0.048760  0.361424  1
  Ni  Ni65  1  0.508851  0.700986  0.383601  1
  Ni  Ni66  1  0.508851  0.395845  0.338491  1
  Ni  Ni67  1  0.508851  0.802840  0.398340  1
  Ni  Ni68  1  0.508851  0.454902  0.420556  1
  Ni  Ni69  1  0.508851  0.106889  0.442990  1
  Ni  Ni70  1  1.008851  0.830708  0.439018  1
  Ni  Ni71  1  1.008851  0.526871  0.394677  1
  Ni  Ni72  1  1.008851  0.178788  0.417020  1
  Ni  Ni73  1  1.008851  0.932750  0.453929  1
  Ni  Ni74  1  1.008851  0.628886  0.409429  1
  Ni  Ni75  1  1.008851  0.281079  0.431955  1
  Ni  Ni76  1  0.508851  0.004615  0.427963  1
  Ni  Ni77  1  0.508851  0.656766  0.450182  1
  Ni  Ni78  1  0.508851  0.352898  0.405850  1
  Ni  Ni79  1  0.508851  0.758921  0.465178  1
  Ni  Ni80  1  0.508851  0.411192  0.487520  1
  Ni  Ni81  1  0.508851  0.062905  0.509542  1
  Ni  Ni82  1  1.008851  0.786772  0.505830  1
  Ni  Ni83  1  1.008851  0.482877  0.461310  1
  Ni  Ni84  1  1.008851  0.134841  0.483581  1
  Ni  Ni85  1  1.008851  0.888867  0.520696  1
  Ni  Ni86  1  1.008851  0.585019  0.476312  1
  Ni  Ni87  1  1.008851  0.237118  0.498559  1
  Ni  Ni88  1  0.508851  0.960689  0.494593  1
  Ni  Ni89  1  0.508851  0.612905  0.516983  1
  Ni  Ni90  1  0.508851  0.309011  0.472573  1
  Ni  Ni91  1  0.508851  0.715040  0.532004  1
  Ni  Ni92  1  0.508851  0.367299  0.554204  1
  Ni  Ni93  1  0.508851  0.019055  0.576179  1
  Ni  Ni94  1  1.008851  0.742942  0.572788  1
  Ni  Ni95  1  1.008851  0.439137  0.528214  1
  Ni  Ni96  1  1.008851  0.090881  0.550121  1
  Ni  Ni97  1  1.008851  0.844926  0.587491  1
  Ni  Ni98  1  1.008851  0.541150  0.543124  1
  Ni  Ni99  1  1.008851  0.193184  0.565108  1
  Ni  Ni100  1  0.508851  0.916754  0.561326  1
  Ni  Ni101  1  0.508851  0.568997  0.583861  1
  Ni  Ni102  1  0.508851  0.265077  0.539160  1
  Ni  Ni103  1  0.508851  0.670884  0.598634  1
  Ni  Ni104  1  0.508851  0.323286  0.620727  1
  Ni  Ni105  1  0.508851  0.975403  0.642749  1
  Ni  Ni106  1  1.008851  0.698781  0.639083  1
  Ni  Ni107  1  1.008851  0.395207  0.594861  1
  Ni  Ni108  1  1.008851  0.047131  0.616769  1
  Ni  Ni109  1  1.008851  0.802204  0.654770  1
  Ni  Ni110  1  1.008851  0.497356  0.610150  1
  Ni  Ni111  1  1.008851  0.149096  0.631621  1
  Ni  Ni112  1  0.508851  0.873168  0.628007  1
  Ni  Ni113  1  0.508851  0.524929  0.651151  1
  Ni  Ni114  1  0.508851  0.221064  0.605723  1
  Ni  Ni115  1  0.508851  0.627232  0.665651  1
  Ni  Ni116  1  0.508851  0.278366  0.687294  1
  Ni  Ni117  1  0.508851  0.931452  0.709761  1
  Ni  Ni118  1  1.008851  0.656263  0.706105  1
  Ni  Ni119  1  1.008851  0.350867  0.661351  1
  Ni  Ni120  1  1.008851  0.003085  0.683364  1
  Ni  Ni121  1  1.008851  0.755534  0.720126  1
  Ni  Ni122  1  1.008851  0.452150  0.676638  1
  Ni  Ni123  1  1.008851  0.105697  0.698094  1
  Ni  Ni124  1  0.508851  0.829936  0.695937  1
  Ni  Ni125  1  0.508851  0.477688  0.716857  1
  Ni  Ni126  1  0.508851  0.177297  0.671995  1
