# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29529388
_cell_length_b   16.51246413
_cell_length_c   48.36629889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.05319700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr108 Ni216'
_cell_volume   7901.67752843
_cell_formula_units_Z   108
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  0.589136  0.172546  0.317674  1
  Cr  Cr2  1  0.190921  0.192699  0.299904  1
  Cr  Cr3  1  0.785803  0.207811  0.284510  1
  Cr  Cr4  1  0.785803  0.707811  0.284510  1
  Cr  Cr5  1  0.589136  0.672546  0.317674  1
  Cr  Cr6  1  0.190921  0.692699  0.299904  1
  Cr  Cr7  1  0.285803  0.457811  0.284510  1
  Cr  Cr8  1  0.089136  0.422546  0.317674  1
  Cr  Cr9  1  0.690921  0.442699  0.299904  1
  Cr  Cr10  1  0.690921  0.942699  0.299904  1
  Cr  Cr11  1  0.285803  0.957811  0.284510  1
  Cr  Cr12  1  0.089136  0.922546  0.317674  1
  Cr  Cr13  1  0.791433  0.120953  0.367188  1
  Cr  Cr14  1  0.390605  0.137472  0.350994  1
  Cr  Cr15  1  0.992644  0.155880  0.334302  1
  Cr  Cr16  1  0.992644  0.655880  0.334302  1
  Cr  Cr17  1  0.791433  0.620953  0.367188  1
  Cr  Cr18  1  0.390605  0.637472  0.350994  1
  Cr  Cr19  1  0.492644  0.405880  0.334302  1
  Cr  Cr20  1  0.291433  0.370953  0.367188  1
  Cr  Cr21  1  0.890605  0.387472  0.350994  1
  Cr  Cr22  1  0.890605  0.887472  0.350994  1
  Cr  Cr23  1  0.492644  0.905880  0.334302  1
  Cr  Cr24  1  0.291433  0.870953  0.367188  1
  Cr  Cr25  1  0.990836  0.068703  0.417561  1
  Cr  Cr26  1  0.591184  0.086394  0.400633  1
  Cr  Cr27  1  0.190576  0.103520  0.383995  1
  Cr  Cr28  1  0.190576  0.603520  0.383995  1
  Cr  Cr29  1  0.990836  0.568703  0.417561  1
  Cr  Cr30  1  0.591184  0.586394  0.400633  1
  Cr  Cr31  1  0.690576  0.353520  0.383995  1
  Cr  Cr32  1  0.490836  0.318703  0.417561  1
  Cr  Cr33  1  0.091184  0.336394  0.400633  1
  Cr  Cr34  1  0.091184  0.836394  0.400633  1
  Cr  Cr35  1  0.690576  0.853520  0.383995  1
  Cr  Cr36  1  0.490836  0.818703  0.417561  1
  Cr  Cr37  1  0.190576  0.016968  0.467561  1
  Cr  Cr38  1  0.790654  0.034129  0.450893  1
  Cr  Cr39  1  0.390973  0.051431  0.434191  1
  Cr  Cr40  1  0.390973  0.551431  0.434191  1
  Cr  Cr41  1  0.190576  0.516968  0.467561  1
  Cr  Cr42  1  0.790654  0.534129  0.450893  1
  Cr  Cr43  1  0.890973  0.301431  0.434191  1
  Cr  Cr44  1  0.690576  0.266968  0.467561  1
  Cr  Cr45  1  0.290654  0.284129  0.450893  1
  Cr  Cr46  1  0.290654  0.784129  0.450893  1
  Cr  Cr47  1  0.890973  0.801431  0.434191  1
  Cr  Cr48  1  0.690576  0.766968  0.467561  1
  Cr  Cr49  1  0.390100  0.964920  0.517742  1
  Cr  Cr50  1  0.990244  0.982296  0.501035  1
  Cr  Cr51  1  0.590388  0.999672  0.484328  1
  Cr  Cr52  1  0.590388  0.499672  0.484328  1
  Cr  Cr53  1  0.390100  0.464920  0.517742  1
  Cr  Cr54  1  0.990244  0.482296  0.501035  1
  Cr  Cr55  1  0.090388  0.249672  0.484328  1
  Cr  Cr56  1  0.890100  0.214920  0.517742  1
  Cr  Cr57  1  0.490244  0.232296  0.501035  1
  Cr  Cr58  1  0.490244  0.732296  0.501035  1
  Cr  Cr59  1  0.090388  0.749672  0.484328  1
  Cr  Cr60  1  0.890100  0.714920  0.517742  1
  Cr  Cr61  1  0.589515  0.913161  0.567878  1
  Cr  Cr62  1  0.189834  0.930462  0.551177  1
  Cr  Cr63  1  0.789912  0.947623  0.534508  1
  Cr  Cr64  1  0.789912  0.447623  0.534508  1
  Cr  Cr65  1  0.589515  0.413161  0.567878  1
  Cr  Cr66  1  0.189834  0.430462  0.551177  1
  Cr  Cr67  1  0.289912  0.197623  0.534508  1
  Cr  Cr68  1  0.089515  0.163161  0.567878  1
  Cr  Cr69  1  0.689834  0.180462  0.551177  1
  Cr  Cr70  1  0.689834  0.680462  0.551177  1
  Cr  Cr71  1  0.289912  0.697623  0.534508  1
  Cr  Cr72  1  0.089515  0.663161  0.567878  1
  Cr  Cr73  1  0.789912  0.861071  0.618075  1
  Cr  Cr74  1  0.389304  0.878198  0.601437  1
  Cr  Cr75  1  0.989652  0.895888  0.584508  1
  Cr  Cr76  1  0.989652  0.395888  0.584508  1
  Cr  Cr77  1  0.789912  0.361071  0.618075  1
  Cr  Cr78  1  0.389304  0.378198  0.601437  1
  Cr  Cr79  1  0.489652  0.145888  0.584508  1
  Cr  Cr80  1  0.289912  0.111071  0.618075  1
  Cr  Cr81  1  0.889304  0.128198  0.601437  1
  Cr  Cr82  1  0.889304  0.628198  0.601437  1
  Cr  Cr83  1  0.489652  0.645888  0.584508  1
  Cr  Cr84  1  0.289912  0.611071  0.618075  1
  Cr  Cr85  1  0.987844  0.808712  0.667767  1
  Cr  Cr86  1  0.589883  0.827119  0.651075  1
  Cr  Cr87  1  0.189055  0.843638  0.634881  1
  Cr  Cr88  1  0.189055  0.343638  0.634881  1
  Cr  Cr89  1  0.987844  0.308712  0.667767  1
  Cr  Cr90  1  0.589883  0.327119  0.651075  1
  Cr  Cr91  1  0.689055  0.093638  0.634881  1
  Cr  Cr92  1  0.487844  0.058712  0.667767  1
  Cr  Cr93  1  0.089883  0.077119  0.651075  1
  Cr  Cr94  1  0.089883  0.577119  0.651075  1
  Cr  Cr95  1  0.689055  0.593638  0.634881  1
  Cr  Cr96  1  0.487844  0.558712  0.667767  1
  Cr  Cr97  1  0.194685  0.756781  0.717559  1
  Cr  Cr98  1  0.789567  0.771892  0.702166  1
  Cr  Cr99  1  0.391352  0.792046  0.684395  1
  Cr  Cr100  1  0.391352  0.292046  0.684395  1
  Cr  Cr101  1  0.194685  0.256781  0.717559  1
  Cr  Cr102  1  0.789567  0.271892  0.702166  1
  Cr  Cr103  1  0.891352  0.042046  0.684395  1
  Cr  Cr104  1  0.694685  0.006781  0.717559  1
  Cr  Cr105  1  0.289567  0.021892  0.702166  1
  Cr  Cr106  1  0.289567  0.521892  0.702166  1
  Cr  Cr107  1  0.891352  0.542046  0.684395  1
  Cr  Cr108  1  0.694685  0.506781  0.717559  1
  Ni  Ni109  1  0.351889  0.606547  0.300818  1
  Ni  Ni110  1  0.948748  0.622162  0.285381  1
  Ni  Ni111  1  0.754991  0.589283  0.317722  1
  Ni  Ni112  1  0.754991  0.089283  0.317722  1
  Ni  Ni113  1  0.351889  0.106547  0.300818  1
  Ni  Ni114  1  0.948748  0.122162  0.285381  1
  Ni  Ni115  1  0.518804  0.523082  0.301037  1
  Ni  Ni116  1  0.114399  0.540910  0.285188  1
  Ni  Ni117  1  0.922028  0.506275  0.317841  1
  Ni  Ni118  1  0.922028  0.006275  0.317841  1
  Ni  Ni119  1  0.518804  0.023082  0.301037  1
  Ni  Ni120  1  0.114399  0.040910  0.285188  1
  Ni  Ni121  1  0.448748  0.372162  0.285381  1
  Ni  Ni122  1  0.254991  0.339283  0.317722  1
  Ni  Ni123  1  0.851889  0.356547  0.300818  1
  Ni  Ni124  1  0.851889  0.856547  0.300818  1
  Ni  Ni125  1  0.448748  0.872162  0.285381  1
  Ni  Ni126  1  0.254991  0.839283  0.317722  1
  Ni  Ni127  1  0.422028  0.256275  0.317841  1
  Ni  Ni128  1  0.018804  0.273082  0.301037  1
  Ni  Ni129  1  0.614399  0.290910  0.285188  1
  Ni  Ni130  1  0.614399  0.790910  0.285188  1
  Ni  Ni131  1  0.422028  0.756275  0.317841  1
  Ni  Ni132  1  0.018804  0.773082  0.301037  1
  Ni  Ni133  1  0.556478  0.553809  0.350656  1
  Ni  Ni134  1  0.157245  0.572455  0.333681  1
  Ni  Ni135  1  0.957288  0.536613  0.367301  1
  Ni  Ni136  1  0.957288  0.036613  0.367301  1
  Ni  Ni137  1  0.556478  0.053809  0.350656  1
  Ni  Ni138  1  0.157245  0.072455  0.333681  1
  Ni  Ni139  1  0.724296  0.471961  0.350583  1
  Ni  Ni140  1  0.323807  0.489684  0.333935  1
  Ni  Ni141  1  0.124831  0.455108  0.367217  1
  Ni  Ni142  1  0.124831  0.955108  0.367217  1
  Ni  Ni143  1  0.724296  0.971961  0.350583  1
  Ni  Ni144  1  0.323807  0.989684  0.333935  1
  Ni  Ni145  1  0.657245  0.322455  0.333681  1
  Ni  Ni146  1  0.457288  0.286613  0.367301  1
  Ni  Ni147  1  0.056478  0.303809  0.350656  1
  Ni  Ni148  1  0.056478  0.803809  0.350656  1
  Ni  Ni149  1  0.657245  0.822455  0.333681  1
  Ni  Ni150  1  0.457288  0.786613  0.367301  1
  Ni  Ni151  1  0.624831  0.205108  0.367217  1
  Ni  Ni152  1  0.224296  0.221961  0.350583  1
  Ni  Ni153  1  0.823807  0.239684  0.333935  1
  Ni  Ni154  1  0.823807  0.739684  0.333935  1
  Ni  Ni155  1  0.624831  0.705108  0.367217  1
  Ni  Ni156  1  0.224296  0.721961  0.350583  1
  Ni  Ni157  1  0.757387  0.502250  0.400572  1
  Ni  Ni158  1  0.356980  0.519202  0.384070  1
  Ni  Ni159  1  0.157253  0.484900  0.417353  1
  Ni  Ni160  1  0.157253  0.984900  0.417353  1
  Ni  Ni161  1  0.757387  0.002250  0.400572  1
  Ni  Ni162  1  0.356980  0.019202  0.384070  1
  Ni  Ni163  1  0.924645  0.420068  0.400886  1
  Ni  Ni164  1  0.524444  0.437382  0.384324  1
  Ni  Ni165  1  0.324402  0.402615  0.417563  1
  Ni  Ni166  1  0.324402  0.902615  0.417563  1
  Ni  Ni167  1  0.924645  0.920068  0.400886  1
  Ni  Ni168  1  0.524444  0.937382  0.384324  1
  Ni  Ni169  1  0.856980  0.269202  0.384070  1
  Ni  Ni170  1  0.657253  0.234900  0.417353  1
  Ni  Ni171  1  0.257387  0.252250  0.400572  1
  Ni  Ni172  1  0.257387  0.752250  0.400572  1
  Ni  Ni173  1  0.856980  0.769202  0.384070  1
  Ni  Ni174  1  0.657253  0.734900  0.417353  1
  Ni  Ni175  1  0.824402  0.152615  0.417563  1
  Ni  Ni176  1  0.424645  0.170068  0.400886  1
  Ni  Ni177  1  0.024444  0.187382  0.384324  1
  Ni  Ni178  1  0.024444  0.687382  0.384324  1
  Ni  Ni179  1  0.824402  0.652615  0.417563  1
  Ni  Ni180  1  0.424645  0.670068  0.400886  1
  Ni  Ni181  1  0.957049  0.450163  0.450869  1
  Ni  Ni182  1  0.557306  0.467648  0.434141  1
  Ni  Ni183  1  0.356875  0.432864  0.467542  1
  Ni  Ni184  1  0.356875  0.932864  0.467542  1
  Ni  Ni185  1  0.957049  0.950163  0.450869  1
  Ni  Ni186  1  0.557306  0.967648  0.434141  1
  Ni  Ni187  1  0.124305  0.368219  0.450944  1
  Ni  Ni188  1  0.724543  0.385545  0.434196  1
  Ni  Ni189  1  0.524204  0.350923  0.467689  1
  Ni  Ni190  1  0.524204  0.850923  0.467689  1
  Ni  Ni191  1  0.124305  0.868219  0.450944  1
  Ni  Ni192  1  0.724543  0.885545  0.434196  1
  Ni  Ni193  1  0.057306  0.217648  0.434141  1
  Ni  Ni194  1  0.856875  0.182864  0.467542  1
  Ni  Ni195  1  0.457049  0.200163  0.450869  1
  Ni  Ni196  1  0.457049  0.700163  0.450869  1
  Ni  Ni197  1  0.057306  0.717648  0.434141  1
  Ni  Ni198  1  0.856875  0.682864  0.467542  1
  Ni  Ni199  1  0.024204  0.100923  0.467689  1
  Ni  Ni200  1  0.624305  0.118219  0.450944  1
  Ni  Ni201  1  0.224543  0.135545  0.434196  1
  Ni  Ni202  1  0.224543  0.635545  0.434196  1
  Ni  Ni203  1  0.024204  0.600923  0.467689  1
  Ni  Ni204  1  0.624305  0.618219  0.450944  1
  Ni  Ni205  1  0.156620  0.398374  0.500950  1
  Ni  Ni206  1  0.756751  0.415622  0.484250  1
  Ni  Ni207  1  0.556531  0.381074  0.517664  1
  Ni  Ni208  1  0.556531  0.881074  0.517664  1
  Ni  Ni209  1  0.156620  0.898374  0.500950  1
  Ni  Ni210  1  0.756751  0.915622  0.484250  1
  Ni  Ni211  1  0.323868  0.316217  0.501119  1
  Ni  Ni212  1  0.923957  0.333518  0.484405  1
  Ni  Ni213  1  0.723737  0.298969  0.517819  1
  Ni  Ni214  1  0.723737  0.798969  0.517819  1
  Ni  Ni215  1  0.323868  0.816217  0.501119  1
  Ni  Ni216  1  0.923957  0.833518  0.484405  1
  Ni  Ni217  1  0.256751  0.165622  0.484250  1
  Ni  Ni218  1  0.056531  0.131074  0.517664  1
  Ni  Ni219  1  0.656620  0.148374  0.500950  1
  Ni  Ni220  1  0.656620  0.648374  0.500950  1
  Ni  Ni221  1  0.256751  0.665622  0.484250  1
  Ni  Ni222  1  0.056531  0.631074  0.517664  1
  Ni  Ni223  1  0.223737  0.048969  0.517819  1
  Ni  Ni224  1  0.823868  0.066217  0.501119  1
  Ni  Ni225  1  0.423957  0.083518  0.484405  1
  Ni  Ni226  1  0.423957  0.583518  0.484405  1
  Ni  Ni227  1  0.223737  0.548969  0.517819  1
  Ni  Ni228  1  0.823868  0.566217  0.501119  1
  Ni  Ni229  1  0.356183  0.346373  0.551126  1
  Ni  Ni230  1  0.956284  0.363668  0.534380  1
  Ni  Ni231  1  0.755945  0.329047  0.567873  1
  Ni  Ni232  1  0.755945  0.829047  0.567873  1
  Ni  Ni233  1  0.356183  0.846373  0.551126  1
  Ni  Ni234  1  0.956284  0.863668  0.534380  1
  Ni  Ni235  1  0.523439  0.264428  0.551200  1
  Ni  Ni236  1  0.123613  0.281728  0.534528  1
  Ni  Ni237  1  0.923182  0.246943  0.567928  1
  Ni  Ni238  1  0.923182  0.746943  0.567928  1
  Ni  Ni239  1  0.523439  0.764428  0.551200  1
  Ni  Ni240  1  0.123613  0.781728  0.534528  1
  Ni  Ni241  1  0.456284  0.113668  0.534380  1
  Ni  Ni242  1  0.255945  0.079047  0.567873  1
  Ni  Ni243  1  0.856183  0.096373  0.551126  1
  Ni  Ni244  1  0.856183  0.596373  0.551126  1
  Ni  Ni245  1  0.456284  0.613668  0.534380  1
  Ni  Ni246  1  0.255945  0.579047  0.567873  1
  Ni  Ni247  1  0.423182  0.996943  0.567928  1
  Ni  Ni248  1  0.023439  0.014428  0.551200  1
  Ni  Ni249  1  0.623613  0.031728  0.534528  1
  Ni  Ni250  1  0.623613  0.531728  0.534528  1
  Ni  Ni251  1  0.423182  0.496943  0.567928  1
  Ni  Ni252  1  0.023439  0.514428  0.551200  1
  Ni  Ni253  1  0.555843  0.294523  0.601183  1
  Ni  Ni254  1  0.156086  0.311976  0.584507  1
  Ni  Ni255  1  0.956044  0.277209  0.617745  1
  Ni  Ni256  1  0.956044  0.777209  0.617745  1
  Ni  Ni257  1  0.555843  0.794523  0.601183  1
  Ni  Ni258  1  0.156086  0.811976  0.584507  1
  Ni  Ni259  1  0.723101  0.212341  0.601497  1
  Ni  Ni260  1  0.323236  0.229691  0.584717  1
  Ni  Ni261  1  0.123508  0.195389  0.617999  1
  Ni  Ni262  1  0.123508  0.695389  0.617999  1
  Ni  Ni263  1  0.723101  0.712341  0.601497  1
  Ni  Ni264  1  0.323236  0.729691  0.584717  1
  Ni  Ni265  1  0.656086  0.061976  0.584507  1
  Ni  Ni266  1  0.456044  0.027209  0.617745  1
  Ni  Ni267  1  0.055843  0.044523  0.601183  1
  Ni  Ni268  1  0.055843  0.544523  0.601183  1
  Ni  Ni269  1  0.656086  0.561976  0.584507  1
  Ni  Ni270  1  0.456044  0.527209  0.617745  1
  Ni  Ni271  1  0.623508  0.945389  0.617999  1
  Ni  Ni272  1  0.223101  0.962341  0.601497  1
  Ni  Ni273  1  0.823236  0.979691  0.584717  1
  Ni  Ni274  1  0.823236  0.479691  0.584717  1
  Ni  Ni275  1  0.623508  0.445389  0.617999  1
  Ni  Ni276  1  0.223101  0.462341  0.601497  1
  Ni  Ni277  1  0.756192  0.242630  0.651486  1
  Ni  Ni278  1  0.355657  0.259483  0.634853  1
  Ni  Ni279  1  0.156681  0.224907  0.668134  1
  Ni  Ni280  1  0.156681  0.724907  0.668134  1
  Ni  Ni281  1  0.756192  0.742630  0.651486  1
  Ni  Ni282  1  0.355657  0.759483  0.634853  1
  Ni  Ni283  1  0.924010  0.160782  0.651413  1
  Ni  Ni284  1  0.523200  0.177979  0.634768  1
  Ni  Ni285  1  0.323243  0.142136  0.668388  1
  Ni  Ni286  1  0.323243  0.642136  0.668388  1
  Ni  Ni287  1  0.924010  0.660782  0.651413  1
  Ni  Ni288  1  0.523200  0.677979  0.634768  1
  Ni  Ni289  1  0.855657  0.009483  0.634853  1
  Ni  Ni290  1  0.656681  0.974907  0.668134  1
  Ni  Ni291  1  0.256192  0.992630  0.651486  1
  Ni  Ni292  1  0.256192  0.492630  0.651486  1
  Ni  Ni293  1  0.855657  0.509483  0.634853  1
  Ni  Ni294  1  0.656681  0.474907  0.668134  1
  Ni  Ni295  1  0.823243  0.892136  0.668388  1
  Ni  Ni296  1  0.424010  0.910782  0.651413  1
  Ni  Ni297  1  0.023200  0.927979  0.634768  1
  Ni  Ni298  1  0.023200  0.427979  0.634768  1
  Ni  Ni299  1  0.823243  0.392136  0.668388  1
  Ni  Ni300  1  0.424010  0.410782  0.651413  1
  Ni  Ni301  1  0.961684  0.191510  0.701032  1
  Ni  Ni302  1  0.558460  0.208316  0.684229  1
  Ni  Ni303  1  0.366089  0.173681  0.716881  1
  Ni  Ni304  1  0.366089  0.673681  0.716881  1
  Ni  Ni305  1  0.961684  0.691510  0.701032  1
  Ni  Ni306  1  0.558460  0.708316  0.684229  1
  Ni  Ni307  1  0.128599  0.108044  0.701252  1
  Ni  Ni308  1  0.725497  0.125308  0.684348  1
  Ni  Ni309  1  0.531740  0.092430  0.716688  1
  Ni  Ni310  1  0.531740  0.592430  0.716688  1
  Ni  Ni311  1  0.128599  0.608044  0.701252  1
  Ni  Ni312  1  0.725497  0.625308  0.684348  1
  Ni  Ni313  1  0.058460  0.958316  0.684229  1
  Ni  Ni314  1  0.866089  0.923681  0.716881  1
  Ni  Ni315  1  0.461684  0.941510  0.701032  1
  Ni  Ni316  1  0.461684  0.441510  0.701032  1
  Ni  Ni317  1  0.058460  0.458316  0.684229  1
  Ni  Ni318  1  0.866089  0.423681  0.716881  1
  Ni  Ni319  1  0.031740  0.842430  0.716688  1
  Ni  Ni320  1  0.628599  0.858044  0.701252  1
  Ni  Ni321  1  0.225497  0.875308  0.684348  1
  Ni  Ni322  1  0.225497  0.375308  0.684348  1
  Ni  Ni323  1  0.031740  0.342430  0.716688  1
  Ni  Ni324  1  0.628599  0.358044  0.701252  1
