# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15428142
_cell_length_b   15.39169714
_cell_length_c   47.63522331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.11117515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr64 Ni128'
_cell_volume   4477.52970885
_cell_formula_units_Z   64
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  0.352583  0.344010  0.269990  1
  Cr  Cr2  1  0.005904  0.327630  0.298341  1
  Cr  Cr3  1  0.852583  0.844010  0.269990  1
  Cr  Cr4  1  0.505904  0.827630  0.298341  1
  Cr  Cr5  1  0.102583  0.594010  0.269990  1
  Cr  Cr6  1  0.755904  0.577630  0.298341  1
  Cr  Cr7  1  0.602583  0.094010  0.269990  1
  Cr  Cr8  1  0.255904  0.077630  0.298341  1
  Cr  Cr9  1  0.659636  0.308939  0.328391  1
  Cr  Cr10  1  0.311820  0.290927  0.357519  1
  Cr  Cr11  1  0.159636  0.808939  0.328391  1
  Cr  Cr12  1  0.811820  0.790927  0.357519  1
  Cr  Cr13  1  0.409636  0.558939  0.328391  1
  Cr  Cr14  1  0.061820  0.540927  0.357519  1
  Cr  Cr15  1  0.909636  0.058939  0.328391  1
  Cr  Cr16  1  0.561820  0.040927  0.357519  1
  Cr  Cr17  1  0.963407  0.273870  0.386831  1
  Cr  Cr18  1  0.614973  0.256425  0.416435  1
  Cr  Cr19  1  0.463407  0.773870  0.386831  1
  Cr  Cr20  1  0.114973  0.756425  0.416435  1
  Cr  Cr21  1  0.713407  0.523870  0.386831  1
  Cr  Cr22  1  0.364973  0.506425  0.416435  1
  Cr  Cr23  1  0.213407  0.023870  0.386831  1
  Cr  Cr24  1  0.864973  0.006425  0.416435  1
  Cr  Cr25  1  0.266392  0.238820  0.445890  1
  Cr  Cr26  1  0.917701  0.221422  0.475371  1
  Cr  Cr27  1  0.766392  0.738820  0.445890  1
  Cr  Cr28  1  0.417701  0.721422  0.475371  1
  Cr  Cr29  1  0.016392  0.488820  0.445890  1
  Cr  Cr30  1  0.667701  0.471422  0.475371  1
  Cr  Cr31  1  0.516392  0.988820  0.445890  1
  Cr  Cr32  1  0.167701  0.971422  0.475371  1
  Cr  Cr33  1  0.569013  0.203923  0.504840  1
  Cr  Cr34  1  0.220303  0.186436  0.534296  1
  Cr  Cr35  1  0.069013  0.703923  0.504840  1
  Cr  Cr36  1  0.720303  0.686436  0.534296  1
  Cr  Cr37  1  0.319013  0.453923  0.504840  1
  Cr  Cr38  1  0.970303  0.436436  0.534296  1
  Cr  Cr39  1  0.819013  0.953923  0.504840  1
  Cr  Cr40  1  0.470303  0.936436  0.534296  1
  Cr  Cr41  1  0.871580  0.169083  0.563790  1
  Cr  Cr42  1  0.523099  0.151509  0.593290  1
  Cr  Cr43  1  0.371580  0.669083  0.563790  1
  Cr  Cr44  1  0.023099  0.651509  0.593290  1
  Cr  Cr45  1  0.621580  0.419083  0.563790  1
  Cr  Cr46  1  0.273099  0.401509  0.593290  1
  Cr  Cr47  1  0.121580  0.919083  0.563790  1
  Cr  Cr48  1  0.773099  0.901509  0.593290  1
  Cr  Cr49  1  0.174758  0.133791  0.622931  1
  Cr  Cr50  1  0.825804  0.117070  0.652046  1
  Cr  Cr51  1  0.674758  0.633791  0.622931  1
  Cr  Cr52  1  0.325804  0.617070  0.652046  1
  Cr  Cr53  1  0.924758  0.383791  0.622931  1
  Cr  Cr54  1  0.575804  0.367070  0.652046  1
  Cr  Cr55  1  0.424758  0.883791  0.622931  1
  Cr  Cr56  1  0.075804  0.867070  0.652046  1
  Cr  Cr57  1  0.476796  0.098869  0.680885  1
  Cr  Cr58  1  0.131637  0.079875  0.711786  1
  Cr  Cr59  1  0.976796  0.598869  0.680885  1
  Cr  Cr60  1  0.631637  0.579875  0.711786  1
  Cr  Cr61  1  0.226796  0.348869  0.680885  1
  Cr  Cr62  1  0.881637  0.329875  0.711786  1
  Cr  Cr63  1  0.726796  0.848869  0.680885  1
  Cr  Cr64  1  0.381637  0.829875  0.711786  1
  Ni  Ni65  1  0.145114  0.753833  0.279916  1
  Ni  Ni66  1  0.806147  0.736614  0.308565  1
  Ni  Ni67  1  0.645114  0.253833  0.279916  1
  Ni  Ni68  1  0.306147  0.236614  0.308565  1
  Ni  Ni69  1  0.449496  0.666320  0.289127  1
  Ni  Ni70  1  0.108859  0.648379  0.318590  1
  Ni  Ni71  1  0.949496  0.166320  0.289127  1
  Ni  Ni72  1  0.608859  0.148379  0.318590  1
  Ni  Ni73  1  0.395114  0.503833  0.279916  1
  Ni  Ni74  1  0.056147  0.486614  0.308565  1
  Ni  Ni75  1  0.895114  0.003833  0.279916  1
  Ni  Ni76  1  0.556147  0.986614  0.308565  1
  Ni  Ni77  1  0.358859  0.398379  0.318590  1
  Ni  Ni78  1  0.699496  0.416320  0.289127  1
  Ni  Ni79  1  0.858859  0.898379  0.318590  1
  Ni  Ni80  1  0.199496  0.916320  0.289127  1
  Ni  Ni81  1  0.460235  0.719402  0.337512  1
  Ni  Ni82  1  0.112093  0.701312  0.367379  1
  Ni  Ni83  1  0.960235  0.219402  0.337512  1
  Ni  Ni84  1  0.612093  0.201312  0.367379  1
  Ni  Ni85  1  0.761502  0.630952  0.347539  1
  Ni  Ni86  1  0.413342  0.613956  0.377167  1
  Ni  Ni87  1  0.261502  0.130952  0.347539  1
  Ni  Ni88  1  0.913342  0.113956  0.377167  1
  Ni  Ni89  1  0.710235  0.469402  0.337512  1
  Ni  Ni90  1  0.362093  0.451312  0.367379  1
  Ni  Ni91  1  0.210235  0.969402  0.337512  1
  Ni  Ni92  1  0.862093  0.951312  0.367379  1
  Ni  Ni93  1  0.663342  0.363956  0.377167  1
  Ni  Ni94  1  0.011502  0.380952  0.347539  1
  Ni  Ni95  1  0.163342  0.863956  0.377167  1
  Ni  Ni96  1  0.511502  0.880952  0.347539  1
  Ni  Ni97  1  0.763720  0.683880  0.396700  1
  Ni  Ni98  1  0.415189  0.666597  0.426204  1
  Ni  Ni99  1  0.263720  0.183880  0.396700  1
  Ni  Ni100  1  0.915189  0.166597  0.426204  1
  Ni  Ni101  1  0.064687  0.596083  0.406647  1
  Ni  Ni102  1  0.716159  0.578681  0.436077  1
  Ni  Ni103  1  0.564687  0.096083  0.406647  1
  Ni  Ni104  1  0.216159  0.078681  0.436077  1
  Ni  Ni105  1  0.013720  0.433880  0.396700  1
  Ni  Ni106  1  0.665189  0.416597  0.426204  1
  Ni  Ni107  1  0.513720  0.933880  0.396700  1
  Ni  Ni108  1  0.165189  0.916597  0.426204  1
  Ni  Ni109  1  0.966159  0.328681  0.436077  1
  Ni  Ni110  1  0.314687  0.346083  0.406647  1
  Ni  Ni111  1  0.466159  0.828681  0.436077  1
  Ni  Ni112  1  0.814687  0.846083  0.406647  1
  Ni  Ni113  1  0.066564  0.649023  0.455677  1
  Ni  Ni114  1  0.717892  0.631548  0.485136  1
  Ni  Ni115  1  0.566564  0.149023  0.455677  1
  Ni  Ni116  1  0.217892  0.131548  0.485136  1
  Ni  Ni117  1  0.367500  0.561265  0.465587  1
  Ni  Ni118  1  0.018828  0.543768  0.495054  1
  Ni  Ni119  1  0.867500  0.061265  0.465587  1
  Ni  Ni120  1  0.518828  0.043768  0.495054  1
  Ni  Ni121  1  0.316564  0.399023  0.455677  1
  Ni  Ni122  1  0.967892  0.381548  0.485136  1
  Ni  Ni123  1  0.816564  0.899023  0.455677  1
  Ni  Ni124  1  0.467892  0.881548  0.485136  1
  Ni  Ni125  1  0.268828  0.293768  0.495054  1
  Ni  Ni126  1  0.617500  0.311265  0.465587  1
  Ni  Ni127  1  0.768828  0.793768  0.495054  1
  Ni  Ni128  1  0.117500  0.811265  0.465587  1
  Ni  Ni129  1  0.369190  0.614108  0.514630  1
  Ni  Ni130  1  0.020523  0.596600  0.544113  1
  Ni  Ni131  1  0.869190  0.114108  0.514630  1
  Ni  Ni132  1  0.520523  0.096600  0.544113  1
  Ni  Ni133  1  0.670158  0.526332  0.524536  1
  Ni  Ni134  1  0.321505  0.508843  0.553989  1
  Ni  Ni135  1  0.170158  0.026332  0.524536  1
  Ni  Ni136  1  0.821505  0.008843  0.553989  1
  Ni  Ni137  1  0.619190  0.364108  0.514630  1
  Ni  Ni138  1  0.270523  0.346600  0.544113  1
  Ni  Ni139  1  0.119190  0.864108  0.514630  1
  Ni  Ni140  1  0.770523  0.846600  0.544113  1
  Ni  Ni141  1  0.571505  0.258843  0.553989  1
  Ni  Ni142  1  0.920158  0.276332  0.524536  1
  Ni  Ni143  1  0.071505  0.758843  0.553989  1
  Ni  Ni144  1  0.420158  0.776332  0.524536  1
  Ni  Ni145  1  0.671971  0.579205  0.573608  1
  Ni  Ni146  1  0.323511  0.561832  0.602988  1
  Ni  Ni147  1  0.171971  0.079205  0.573608  1
  Ni  Ni148  1  0.823511  0.061832  0.602988  1
  Ni  Ni149  1  0.972843  0.491167  0.583459  1
  Ni  Ni150  1  0.624361  0.474023  0.613003  1
  Ni  Ni151  1  0.472843  0.991167  0.583459  1
  Ni  Ni152  1  0.124361  0.974023  0.613003  1
  Ni  Ni153  1  0.921971  0.329205  0.573608  1
  Ni  Ni154  1  0.573511  0.311832  0.602988  1
  Ni  Ni155  1  0.421971  0.829205  0.573608  1
  Ni  Ni156  1  0.073511  0.811832  0.602988  1
  Ni  Ni157  1  0.874361  0.224023  0.613003  1
  Ni  Ni158  1  0.222843  0.241167  0.583459  1
  Ni  Ni159  1  0.374361  0.724023  0.613003  1
  Ni  Ni160  1  0.722843  0.741167  0.583459  1
  Ni  Ni161  1  0.974682  0.543775  0.632382  1
  Ni  Ni162  1  0.626702  0.526473  0.662318  1
  Ni  Ni163  1  0.474682  0.043775  0.632382  1
  Ni  Ni164  1  0.126702  0.026473  0.662318  1
  Ni  Ni165  1  0.276204  0.456993  0.642370  1
  Ni  Ni166  1  0.928946  0.438295  0.672089  1
  Ni  Ni167  1  0.776204  0.956993  0.642370  1
  Ni  Ni168  1  0.428946  0.938295  0.672089  1
  Ni  Ni169  1  0.224682  0.293775  0.632382  1
  Ni  Ni170  1  0.876702  0.276473  0.662318  1
  Ni  Ni171  1  0.724682  0.793775  0.632382  1
  Ni  Ni172  1  0.376702  0.776473  0.662318  1
  Ni  Ni173  1  0.178946  0.188295  0.672089  1
  Ni  Ni174  1  0.526204  0.206993  0.642370  1
  Ni  Ni175  1  0.678946  0.688295  0.672089  1
  Ni  Ni176  1  0.026204  0.706993  0.642370  1
  Ni  Ni177  1  0.282469  0.510028  0.691226  1
  Ni  Ni178  1  0.950872  0.492976  0.720293  1
  Ni  Ni179  1  0.782469  0.010028  0.691226  1
  Ni  Ni180  1  0.450872  0.992976  0.720293  1
  Ni  Ni181  1  0.587859  0.420595  0.701310  1
  Ni  Ni182  1  0.250291  0.403005  0.728908  1
  Ni  Ni183  1  0.087859  0.920595  0.701310  1
  Ni  Ni184  1  0.750291  0.903005  0.728908  1
  Ni  Ni185  1  0.532469  0.260028  0.691226  1
  Ni  Ni186  1  0.200872  0.242976  0.720293  1
  Ni  Ni187  1  0.032469  0.760028  0.691226  1
  Ni  Ni188  1  0.700872  0.742976  0.720293  1
  Ni  Ni189  1  0.500291  0.153005  0.728908  1
  Ni  Ni190  1  0.837859  0.170595  0.701310  1
  Ni  Ni191  1  1.000291  0.653005  0.728908  1
  Ni  Ni192  1  0.337859  0.670595  0.701310  1
