# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49934895
_cell_length_b   11.52090400
_cell_length_c   49.37574954
_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   'Cr54 Ni108'
_cell_volume   4266.0291743
_cell_formula_units_Z   54
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  -0.000302  0.374478  0.316241  1
  Cr  Cr2  1  -0.000302  0.043447  0.297035  1
  Cr  Cr3  1  -0.000302  0.746446  0.281577  1
  Cr  Cr4  1  0.499698  0.246446  0.281577  1
  Cr  Cr5  1  0.499698  0.874478  0.316241  1
  Cr  Cr6  1  0.499698  0.543447  0.297035  1
  Cr  Cr7  1  -0.000302  0.324238  0.365944  1
  Cr  Cr8  1  0.999698  0.006399  0.348772  1
  Cr  Cr9  1  0.999698  0.689010  0.332130  1
  Cr  Cr10  1  0.499698  0.189010  0.332130  1
  Cr  Cr11  1  0.499698  0.824238  0.365944  1
  Cr  Cr12  1  0.499698  0.506399  0.348772  1
  Cr  Cr13  1  -0.000302  0.276165  0.415902  1
  Cr  Cr14  1  0.999698  0.958680  0.399098  1
  Cr  Cr15  1  0.999698  0.641238  0.382437  1
  Cr  Cr16  1  0.499698  0.141238  0.382437  1
  Cr  Cr17  1  0.499698  0.776165  0.415902  1
  Cr  Cr18  1  0.499698  0.458680  0.399098  1
  Cr  Cr19  1  -0.000302  0.228373  0.465909  1
  Cr  Cr20  1  0.999698  0.910981  0.449205  1
  Cr  Cr21  1  -0.000302  0.593459  0.432519  1
  Cr  Cr22  1  0.499698  0.093459  0.432519  1
  Cr  Cr23  1  0.499698  0.728373  0.465909  1
  Cr  Cr24  1  0.499698  0.410981  0.449205  1
  Cr  Cr25  1  -0.000302  0.180655  0.515942  1
  Cr  Cr26  1  -0.000302  0.863216  0.499255  1
  Cr  Cr27  1  0.999698  0.545778  0.482569  1
  Cr  Cr28  1  0.499698  0.045778  0.482569  1
  Cr  Cr29  1  0.499698  0.680655  0.515942  1
  Cr  Cr30  1  0.499698  0.363216  0.499255  1
  Cr  Cr31  1  0.999698  0.132974  0.565991  1
  Cr  Cr32  1  0.999698  0.815451  0.549305  1
  Cr  Cr33  1  0.999698  0.498060  0.532602  1
  Cr  Cr34  1  0.499698  0.998060  0.532602  1
  Cr  Cr35  1  0.499698  0.632974  0.565991  1
  Cr  Cr36  1  0.499698  0.315451  0.549305  1
  Cr  Cr37  1  -0.000302  0.085195  0.616073  1
  Cr  Cr38  1  0.999698  0.767752  0.599413  1
  Cr  Cr39  1  0.999698  0.450268  0.582608  1
  Cr  Cr40  1  0.499698  0.950268  0.582608  1
  Cr  Cr41  1  0.499698  0.585195  0.616073  1
  Cr  Cr42  1  0.499698  0.267752  0.599413  1
  Cr  Cr43  1  -0.000302  0.037423  0.666380  1
  Cr  Cr44  1  0.999698  0.720033  0.649738  1
  Cr  Cr45  1  0.999698  0.402195  0.632567  1
  Cr  Cr46  1  0.499698  0.902195  0.632567  1
  Cr  Cr47  1  0.499698  0.537423  0.666380  1
  Cr  Cr48  1  0.499698  0.220033  0.649738  1
  Cr  Cr49  1  -0.000302  0.979986  0.716933  1
  Cr  Cr50  1  -0.000302  0.682985  0.701475  1
  Cr  Cr51  1  -0.000302  0.351954  0.682269  1
  Cr  Cr52  1  0.499698  0.851954  0.682269  1
  Cr  Cr53  1  0.499698  0.479986  0.716933  1
  Cr  Cr54  1  0.499698  0.182985  0.701475  1
  Ni  Ni55  1  0.166191  0.237342  0.284017  1
  Ni  Ni56  1  0.171005  0.870772  0.316720  1
  Ni  Ni57  1  0.167959  0.553813  0.299139  1
  Ni  Ni58  1  0.328392  0.370772  0.316720  1
  Ni  Ni59  1  0.331437  0.053813  0.299139  1
  Ni  Ni60  1  0.333206  0.737342  0.284017  1
  Ni  Ni61  1  0.671005  0.370772  0.316720  1
  Ni  Ni62  1  0.667959  0.053813  0.299139  1
  Ni  Ni63  1  0.666191  0.737342  0.284017  1
  Ni  Ni64  1  0.833206  0.237342  0.284017  1
  Ni  Ni65  1  0.828392  0.870772  0.316720  1
  Ni  Ni66  1  0.831437  0.553813  0.299139  1
  Ni  Ni67  1  0.169408  0.187163  0.332554  1
  Ni  Ni68  1  0.171399  0.823361  0.365931  1
  Ni  Ni69  1  0.171551  0.507159  0.349243  1
  Ni  Ni70  1  0.327997  0.323361  0.365931  1
  Ni  Ni71  1  0.327845  0.007159  0.349243  1
  Ni  Ni72  1  0.329989  0.687163  0.332554  1
  Ni  Ni73  1  0.671399  0.323361  0.365931  1
  Ni  Ni74  1  0.671551  0.007159  0.349243  1
  Ni  Ni75  1  0.669408  0.687163  0.332554  1
  Ni  Ni76  1  0.829989  0.187163  0.332554  1
  Ni  Ni77  1  0.827997  0.823361  0.365931  1
  Ni  Ni78  1  0.827845  0.507159  0.349243  1
  Ni  Ni79  1  0.171118  0.141194  0.382500  1
  Ni  Ni80  1  0.171284  0.776032  0.415884  1
  Ni  Ni81  1  0.171510  0.458749  0.399183  1
  Ni  Ni82  1  0.328113  0.276032  0.415884  1
  Ni  Ni83  1  0.327887  0.958749  0.399183  1
  Ni  Ni84  1  0.328278  0.641194  0.382500  1
  Ni  Ni85  1  0.671284  0.276032  0.415884  1
  Ni  Ni86  1  0.671510  0.958749  0.399183  1
  Ni  Ni87  1  0.671118  0.641194  0.382500  1
  Ni  Ni88  1  0.828278  0.141194  0.382500  1
  Ni  Ni89  1  0.828113  0.776032  0.415884  1
  Ni  Ni90  1  0.827887  0.458749  0.399183  1
  Ni  Ni91  1  0.171297  0.093516  0.432531  1
  Ni  Ni92  1  0.171307  0.728350  0.465902  1
  Ni  Ni93  1  0.171376  0.410959  0.449218  1
  Ni  Ni94  1  0.328089  0.228350  0.465902  1
  Ni  Ni95  1  0.328021  0.910959  0.449218  1
  Ni  Ni96  1  0.328099  0.593516  0.432531  1
  Ni  Ni97  1  0.671307  0.228350  0.465902  1
  Ni  Ni98  1  0.671376  0.910959  0.449218  1
  Ni  Ni99  1  0.671297  0.593516  0.432531  1
  Ni  Ni100  1  0.828099  0.093516  0.432531  1
  Ni  Ni101  1  0.828089  0.728350  0.465902  1
  Ni  Ni102  1  0.828021  0.410959  0.449218  1
  Ni  Ni103  1  0.171322  0.045799  0.482573  1
  Ni  Ni104  1  0.171322  0.680634  0.515937  1
  Ni  Ni105  1  0.171348  0.363216  0.499255  1
  Ni  Ni106  1  0.328074  0.180634  0.515937  1
  Ni  Ni107  1  0.328048  0.863216  0.499255  1
  Ni  Ni108  1  0.328074  0.545799  0.482573  1
  Ni  Ni109  1  0.671322  0.180634  0.515937  1
  Ni  Ni110  1  0.671348  0.863216  0.499255  1
  Ni  Ni111  1  0.671322  0.545799  0.482573  1
  Ni  Ni112  1  0.828074  0.045799  0.482573  1
  Ni  Ni113  1  0.828074  0.680634  0.515937  1
  Ni  Ni114  1  0.828048  0.363216  0.499255  1
  Ni  Ni115  1  0.171307  0.998082  0.532609  1
  Ni  Ni116  1  0.171297  0.632917  0.565979  1
  Ni  Ni117  1  0.171376  0.315473  0.549292  1
  Ni  Ni118  1  0.328099  0.132917  0.565979  1
  Ni  Ni119  1  0.328021  0.815473  0.549292  1
  Ni  Ni120  1  0.328089  0.498082  0.532609  1
  Ni  Ni121  1  0.671297  0.132917  0.565979  1
  Ni  Ni122  1  0.671376  0.815473  0.549292  1
  Ni  Ni123  1  0.671307  0.498082  0.532609  1
  Ni  Ni124  1  0.828089  0.998082  0.532609  1
  Ni  Ni125  1  0.828099  0.632917  0.565979  1
  Ni  Ni126  1  0.828021  0.315473  0.549292  1
  Ni  Ni127  1  0.171284  0.950401  0.582626  1
  Ni  Ni128  1  0.171118  0.585238  0.616010  1
  Ni  Ni129  1  0.171510  0.267684  0.599327  1
  Ni  Ni130  1  0.328278  0.085238  0.616010  1
  Ni  Ni131  1  0.327887  0.767684  0.599327  1
  Ni  Ni132  1  0.328113  0.450401  0.582626  1
  Ni  Ni133  1  0.671118  0.085238  0.616010  1
  Ni  Ni134  1  0.671510  0.767684  0.599327  1
  Ni  Ni135  1  0.671284  0.450401  0.582626  1
  Ni  Ni136  1  0.828113  0.950401  0.582626  1
  Ni  Ni137  1  0.828278  0.585238  0.616010  1
  Ni  Ni138  1  0.827887  0.267684  0.599327  1
  Ni  Ni139  1  0.171399  0.903071  0.632580  1
  Ni  Ni140  1  0.169408  0.539269  0.665956  1
  Ni  Ni141  1  0.171551  0.219274  0.649267  1
  Ni  Ni142  1  0.329989  0.039269  0.665956  1
  Ni  Ni143  1  0.327845  0.719274  0.649267  1
  Ni  Ni144  1  0.327997  0.403071  0.632580  1
  Ni  Ni145  1  0.669408  0.039269  0.665956  1
  Ni  Ni146  1  0.671551  0.719274  0.649267  1
  Ni  Ni147  1  0.671399  0.403071  0.632580  1
  Ni  Ni148  1  0.827997  0.903071  0.632580  1
  Ni  Ni149  1  0.829989  0.539269  0.665956  1
  Ni  Ni150  1  0.827845  0.219274  0.649267  1
  Ni  Ni151  1  0.171005  0.855661  0.681790  1
  Ni  Ni152  1  0.166191  0.489091  0.714493  1
  Ni  Ni153  1  0.167959  0.172620  0.699372  1
  Ni  Ni154  1  0.333206  0.989091  0.714493  1
  Ni  Ni155  1  0.331437  0.672620  0.699372  1
  Ni  Ni156  1  0.328392  0.355661  0.681790  1
  Ni  Ni157  1  0.666191  0.989091  0.714493  1
  Ni  Ni158  1  0.667959  0.672620  0.699372  1
  Ni  Ni159  1  0.671005  0.355661  0.681790  1
  Ni  Ni160  1  0.828392  0.855661  0.681790  1
  Ni  Ni161  1  0.833206  0.489091  0.714493  1
  Ni  Ni162  1  0.831437  0.172620  0.699372  1
