# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28443656
_cell_length_b   15.41378948
_cell_length_c   47.57027372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.40750599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr56 Ni112'
_cell_volume   4558.46766155
_cell_formula_units_Z   56
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  0.748616  0.304427  0.315320  1
  Cr  Cr2  1  0.068596  0.317508  0.283259  1
  Cr  Cr3  1  0.248616  0.804427  0.315320  1
  Cr  Cr4  1  0.568596  0.817508  0.283259  1
  Cr  Cr5  1  0.498616  0.554427  0.315320  1
  Cr  Cr6  1  0.818596  0.567508  0.283259  1
  Cr  Cr7  1  0.998616  0.054427  0.315320  1
  Cr  Cr8  1  0.318596  0.067508  0.283259  1
  Cr  Cr9  1  0.098078  0.263001  0.378995  1
  Cr  Cr10  1  0.426145  0.282901  0.347677  1
  Cr  Cr11  1  0.598078  0.763001  0.378995  1
  Cr  Cr12  1  0.926145  0.782901  0.347677  1
  Cr  Cr13  1  0.848078  0.513001  0.378995  1
  Cr  Cr14  1  0.176145  0.532901  0.347677  1
  Cr  Cr15  1  0.348078  0.013001  0.378995  1
  Cr  Cr16  1  0.676145  0.032901  0.347677  1
  Cr  Cr17  1  0.441394  0.224267  0.441257  1
  Cr  Cr18  1  0.769346  0.243710  0.410050  1
  Cr  Cr19  1  0.941394  0.724267  0.441257  1
  Cr  Cr20  1  0.269346  0.743710  0.410050  1
  Cr  Cr21  1  0.191394  0.474267  0.441257  1
  Cr  Cr22  1  0.519346  0.493710  0.410050  1
  Cr  Cr23  1  0.691394  0.974267  0.441257  1
  Cr  Cr24  1  0.019346  0.993710  0.410050  1
  Cr  Cr25  1  0.785923  0.185240  0.503775  1
  Cr  Cr26  1  0.113750  0.204733  0.472539  1
  Cr  Cr27  1  0.285923  0.685240  0.503775  1
  Cr  Cr28  1  0.613750  0.704733  0.472539  1
  Cr  Cr29  1  0.535923  0.435240  0.503775  1
  Cr  Cr30  1  0.863750  0.454733  0.472539  1
  Cr  Cr31  1  0.035923  0.935240  0.503775  1
  Cr  Cr32  1  0.363750  0.954733  0.472539  1
  Cr  Cr33  1  0.130791  0.146116  0.566363  1
  Cr  Cr34  1  0.458161  0.165737  0.535021  1
  Cr  Cr35  1  0.630791  0.646116  0.566363  1
  Cr  Cr36  1  0.958161  0.665737  0.535021  1
  Cr  Cr37  1  0.880791  0.396116  0.566363  1
  Cr  Cr38  1  0.208161  0.415737  0.535021  1
  Cr  Cr39  1  0.380791  0.896116  0.566363  1
  Cr  Cr40  1  0.708161  0.915737  0.535021  1
  Cr  Cr41  1  0.472724  0.107790  0.628215  1
  Cr  Cr42  1  0.802807  0.126720  0.597602  1
  Cr  Cr43  1  0.972724  0.607790  0.628215  1
  Cr  Cr44  1  0.302807  0.626720  0.597602  1
  Cr  Cr45  1  0.222724  0.357790  0.628215  1
  Cr  Cr46  1  0.552807  0.376720  0.597602  1
  Cr  Cr47  1  0.722724  0.857790  0.628215  1
  Cr  Cr48  1  0.052807  0.876720  0.597602  1
  Cr  Cr49  1  0.817003  0.065660  0.693620  1
  Cr  Cr50  1  0.142869  0.087634  0.659674  1
  Cr  Cr51  1  0.317003  0.565660  0.693620  1
  Cr  Cr52  1  0.642869  0.587634  0.659674  1
  Cr  Cr53  1  0.567003  0.315660  0.693620  1
  Cr  Cr54  1  0.892869  0.337634  0.659674  1
  Cr  Cr55  1  0.067003  0.815660  0.693620  1
  Cr  Cr56  1  0.392869  0.837634  0.659674  1
  Ni  Ni57  1  0.557670  0.710957  0.326962  1
  Ni  Ni58  1  0.880907  0.729792  0.296216  1
  Ni  Ni59  1  0.057670  0.210957  0.326962  1
  Ni  Ni60  1  0.380907  0.229792  0.296216  1
  Ni  Ni61  1  0.868472  0.624650  0.337319  1
  Ni  Ni62  1  0.194743  0.645360  0.305667  1
  Ni  Ni63  1  0.368472  0.124650  0.337319  1
  Ni  Ni64  1  0.694743  0.145360  0.305667  1
  Ni  Ni65  1  0.807670  0.460957  0.326962  1
  Ni  Ni66  1  0.130907  0.479792  0.296216  1
  Ni  Ni67  1  0.307670  0.960957  0.326962  1
  Ni  Ni68  1  0.630907  0.979792  0.296216  1
  Ni  Ni69  1  0.444743  0.395360  0.305667  1
  Ni  Ni70  1  0.118472  0.374650  0.337319  1
  Ni  Ni71  1  0.944743  0.895360  0.305667  1
  Ni  Ni72  1  0.618472  0.874650  0.337319  1
  Ni  Ni73  1  0.903783  0.671017  0.389040  1
  Ni  Ni74  1  0.230571  0.691042  0.357802  1
  Ni  Ni75  1  0.403783  0.171017  0.389040  1
  Ni  Ni76  1  0.730571  0.191042  0.357802  1
  Ni  Ni77  1  0.213046  0.585869  0.399782  1
  Ni  Ni78  1  0.540696  0.605142  0.368454  1
  Ni  Ni79  1  0.713046  0.085869  0.399782  1
  Ni  Ni80  1  0.040696  0.105142  0.368454  1
  Ni  Ni81  1  0.153783  0.421017  0.389040  1
  Ni  Ni82  1  0.480571  0.441042  0.357802  1
  Ni  Ni83  1  0.653783  0.921017  0.389040  1
  Ni  Ni84  1  0.980571  0.941042  0.357802  1
  Ni  Ni85  1  0.790696  0.355142  0.368454  1
  Ni  Ni86  1  0.463046  0.335869  0.399782  1
  Ni  Ni87  1  0.290696  0.855142  0.368454  1
  Ni  Ni88  1  0.963046  0.835869  0.399782  1
  Ni  Ni89  1  0.248193  0.632184  0.451559  1
  Ni  Ni90  1  0.576036  0.651574  0.420316  1
  Ni  Ni91  1  0.748193  0.132184  0.451559  1
  Ni  Ni92  1  0.076036  0.151574  0.420316  1
  Ni  Ni93  1  0.557019  0.546794  0.462285  1
  Ni  Ni94  1  0.884933  0.566319  0.431067  1
  Ni  Ni95  1  0.057019  0.046794  0.462285  1
  Ni  Ni96  1  0.384933  0.066319  0.431067  1
  Ni  Ni97  1  0.498193  0.382184  0.451559  1
  Ni  Ni98  1  0.826036  0.401574  0.420316  1
  Ni  Ni99  1  0.998193  0.882184  0.451559  1
  Ni  Ni100  1  0.326036  0.901574  0.420316  1
  Ni  Ni101  1  0.134933  0.316319  0.431067  1
  Ni  Ni102  1  0.807019  0.296794  0.462285  1
  Ni  Ni103  1  0.634933  0.816319  0.431067  1
  Ni  Ni104  1  0.307019  0.796794  0.462285  1
  Ni  Ni105  1  0.592650  0.593162  0.514063  1
  Ni  Ni106  1  0.920383  0.612678  0.482805  1
  Ni  Ni107  1  0.092650  0.093162  0.514063  1
  Ni  Ni108  1  0.420383  0.112678  0.482805  1
  Ni  Ni109  1  0.901531  0.507751  0.524761  1
  Ni  Ni110  1  0.229285  0.527307  0.493517  1
  Ni  Ni111  1  0.401531  0.007751  0.524761  1
  Ni  Ni112  1  0.729285  0.027307  0.493517  1
  Ni  Ni113  1  0.842650  0.343162  0.514063  1
  Ni  Ni114  1  0.170383  0.362678  0.482805  1
  Ni  Ni115  1  0.342650  0.843162  0.514063  1
  Ni  Ni116  1  0.670383  0.862678  0.482805  1
  Ni  Ni117  1  0.479285  0.277307  0.493517  1
  Ni  Ni118  1  0.151531  0.257751  0.524761  1
  Ni  Ni119  1  0.979285  0.777307  0.493517  1
  Ni  Ni120  1  0.651531  0.757751  0.524761  1
  Ni  Ni121  1  0.936987  0.554120  0.576432  1
  Ni  Ni122  1  0.265050  0.573700  0.545288  1
  Ni  Ni123  1  0.436987  0.054120  0.576432  1
  Ni  Ni124  1  0.765050  0.073700  0.545288  1
  Ni  Ni125  1  0.245995  0.469038  0.587256  1
  Ni  Ni126  1  0.573755  0.488209  0.556015  1
  Ni  Ni127  1  0.745995  0.969038  0.587256  1
  Ni  Ni128  1  0.073755  0.988209  0.556015  1
  Ni  Ni129  1  0.186987  0.304120  0.576432  1
  Ni  Ni130  1  0.515050  0.323700  0.545288  1
  Ni  Ni131  1  0.686987  0.804120  0.576432  1
  Ni  Ni132  1  0.015050  0.823700  0.545288  1
  Ni  Ni133  1  0.823755  0.238209  0.556015  1
  Ni  Ni134  1  0.495995  0.219038  0.587256  1
  Ni  Ni135  1  0.323755  0.738209  0.556015  1
  Ni  Ni136  1  0.995995  0.719038  0.587256  1
  Ni  Ni137  1  0.281119  0.515329  0.639438  1
  Ni  Ni138  1  0.608283  0.534467  0.607816  1
  Ni  Ni139  1  0.781119  0.015329  0.639438  1
  Ni  Ni140  1  0.108283  0.034467  0.607816  1
  Ni  Ni141  1  0.591686  0.429307  0.649923  1
  Ni  Ni142  1  0.917927  0.449659  0.618471  1
  Ni  Ni143  1  0.091686  0.929307  0.649923  1
  Ni  Ni144  1  0.417927  0.949659  0.618471  1
  Ni  Ni145  1  0.531119  0.265329  0.639438  1
  Ni  Ni146  1  0.858283  0.284467  0.607816  1
  Ni  Ni147  1  0.031119  0.765329  0.639438  1
  Ni  Ni148  1  0.358283  0.784467  0.607816  1
  Ni  Ni149  1  0.167927  0.199659  0.618471  1
  Ni  Ni150  1  0.841686  0.179307  0.649923  1
  Ni  Ni151  1  0.667927  0.699659  0.618471  1
  Ni  Ni152  1  0.341686  0.679307  0.649923  1
  Ni  Ni153  1  0.635851  0.479607  0.701082  1
  Ni  Ni154  1  0.954980  0.495673  0.669745  1
  Ni  Ni155  1  0.135851  0.979607  0.701082  1
  Ni  Ni156  1  0.454980  0.995673  0.669745  1
  Ni  Ni157  1  0.948461  0.396106  0.710805  1
  Ni  Ni158  1  0.269190  0.407460  0.680311  1
  Ni  Ni159  1  0.448461  0.896106  0.710805  1
  Ni  Ni160  1  0.769190  0.907460  0.680311  1
  Ni  Ni161  1  0.885851  0.229607  0.701082  1
  Ni  Ni162  1  0.204980  0.245673  0.669745  1
  Ni  Ni163  1  0.385851  0.729607  0.701082  1
  Ni  Ni164  1  0.704980  0.745673  0.669745  1
  Ni  Ni165  1  0.519190  0.157460  0.680311  1
  Ni  Ni166  1  0.198461  0.146106  0.710805  1
  Ni  Ni167  1  0.019190  0.657460  0.680311  1
  Ni  Ni168  1  0.698461  0.646106  0.710805  1
