# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35582423
_cell_length_b   23.27169137
_cell_length_c   50.71824108
_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   3960.8768283
_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  0.511440  0.523999  0.285203  1
  Cr  Cr2  1  0.511440  0.862351  0.269443  1
  Cr  Cr3  1  0.511440  0.180266  0.302457  1
  Cr  Cr4  1  1.011440  0.693861  0.277507  1
  Cr  Cr5  1  1.011440  0.008736  0.310187  1
  Cr  Cr6  1  1.011440  0.351223  0.292770  1
  Cr  Cr7  1  0.511440  0.497516  0.335161  1
  Cr  Cr8  1  0.511440  0.838108  0.318939  1
  Cr  Cr9  1  0.511440  0.155640  0.351444  1
  Cr  Cr10  1  1.011440  0.667863  0.327184  1
  Cr  Cr11  1  1.011440  0.984910  0.359933  1
  Cr  Cr12  1  1.011440  0.327011  0.343002  1
  Cr  Cr13  1  0.511440  0.472423  0.385115  1
  Cr  Cr14  1  0.511440  0.814040  0.368813  1
  Cr  Cr15  1  0.511440  0.130908  0.401675  1
  Cr  Cr16  1  1.011440  0.643226  0.377111  1
  Cr  Cr17  1  1.011440  0.960168  0.410207  1
  Cr  Cr18  1  1.011440  0.301705  0.393294  1
  Cr  Cr19  1  0.511440  0.447453  0.435333  1
  Cr  Cr20  1  0.511440  0.789185  0.418856  1
  Cr  Cr21  1  0.511440  0.106034  0.451912  1
  Cr  Cr22  1  1.011440  0.618233  0.427187  1
  Cr  Cr23  1  1.011440  0.935227  0.460381  1
  Cr  Cr24  1  1.011440  0.276748  0.443546  1
  Cr  Cr25  1  0.511440  0.422545  0.485526  1
  Cr  Cr26  1  0.511440  0.764220  0.468918  1
  Cr  Cr27  1  0.511440  0.081134  0.502110  1
  Cr  Cr28  1  1.011440  0.593292  0.477289  1
  Cr  Cr29  1  1.011440  0.910265  0.510493  1
  Cr  Cr30  1  1.011440  0.251858  0.493791  1
  Cr  Cr31  1  0.511440  0.397685  0.535727  1
  Cr  Cr32  1  0.511440  0.739250  0.519005  1
  Cr  Cr33  1  0.511440  0.056188  0.552276  1
  Cr  Cr34  1  1.011440  0.568395  0.527445  1
  Cr  Cr35  1  1.011440  0.885294  0.560562  1
  Cr  Cr36  1  1.011440  0.226943  0.544021  1
  Cr  Cr37  1  0.511440  0.372761  0.585902  1
  Cr  Cr38  1  0.511440  0.714284  0.569144  1
  Cr  Cr39  1  0.511440  0.031235  0.602456  1
  Cr  Cr40  1  1.011440  0.543516  0.577650  1
  Cr  Cr41  1  1.011440  0.860373  0.610594  1
  Cr  Cr42  1  1.011440  0.201932  0.594244  1
  Cr  Cr43  1  0.511440  0.347841  0.636066  1
  Cr  Cr44  1  0.511440  0.689452  0.619384  1
  Cr  Cr45  1  0.511440  0.006332  0.652374  1
  Cr  Cr46  1  1.011440  0.518814  0.627894  1
  Cr  Cr47  1  1.011440  0.836000  0.660418  1
  Cr  Cr48  1  1.011440  0.176600  0.644527  1
  Cr  Cr49  1  0.511440  0.323099  0.685075  1
  Cr  Cr50  1  0.511440  0.665579  0.669103  1
  Cr  Cr51  1  0.511440  0.980003  0.702372  1
  Cr  Cr52  1  1.011440  0.494142  0.677110  1
  Cr  Cr53  1  1.011440  0.811610  0.709978  1
  Cr  Cr54  1  1.011440  0.152482  0.694778  1
  Ni  Ni55  1  1.011440  0.796384  0.289093  1
  Ni  Ni56  1  1.011440  0.139590  0.273027  1
  Ni  Ni57  1  1.011440  0.456988  0.305265  1
  Ni  Ni58  1  0.511440  0.732714  0.308648  1
  Ni  Ni59  1  0.511440  0.073417  0.290802  1
  Ni  Ni60  1  0.511440  0.419659  0.275677  1
  Ni  Ni61  1  0.511440  0.627096  0.297125  1
  Ni  Ni62  1  0.511440  0.966514  0.280674  1
  Ni  Ni63  1  0.511440  0.285681  0.313188  1
  Ni  Ni64  1  1.011440  0.562741  0.316601  1
  Ni  Ni65  1  1.011440  0.902798  0.300098  1
  Ni  Ni66  1  1.011440  0.244523  0.283434  1
  Ni  Ni67  1  1.011440  0.772943  0.338417  1
  Ni  Ni68  1  1.011440  0.114153  0.321050  1
  Ni  Ni69  1  1.011440  0.431597  0.354471  1
  Ni  Ni70  1  0.511440  0.708768  0.357926  1
  Ni  Ni71  1  0.511440  0.050318  0.340440  1
  Ni  Ni72  1  0.511440  0.392286  0.323796  1
  Ni  Ni73  1  0.511440  0.602438  0.346551  1
  Ni  Ni74  1  0.511440  0.943534  0.329696  1
  Ni  Ni75  1  0.511440  0.261036  0.362719  1
  Ni  Ni76  1  1.011440  0.538096  0.366016  1
  Ni  Ni77  1  1.011440  0.879510  0.349397  1
  Ni  Ni78  1  1.011440  0.221508  0.332430  1
  Ni  Ni79  1  1.011440  0.748324  0.388309  1
  Ni  Ni80  1  1.011440  0.090050  0.370948  1
  Ni  Ni81  1  1.011440  0.406697  0.404578  1
  Ni  Ni82  1  0.511440  0.683961  0.407864  1
  Ni  Ni83  1  0.511440  0.025832  0.390612  1
  Ni  Ni84  1  0.511440  0.367377  0.373982  1
  Ni  Ni85  1  0.511440  0.577468  0.396504  1
  Ni  Ni86  1  0.511440  0.919284  0.379681  1
  Ni  Ni87  1  0.511440  0.235931  0.412816  1
  Ni  Ni88  1  1.011440  0.513106  0.416008  1
  Ni  Ni89  1  1.011440  0.854960  0.399388  1
  Ni  Ni90  1  1.011440  0.196549  0.382202  1
  Ni  Ni91  1  1.011440  0.723380  0.438325  1
  Ni  Ni92  1  1.011440  0.065228  0.421173  1
  Ni  Ni93  1  1.011440  0.381757  0.454749  1
  Ni  Ni94  1  0.511440  0.659025  0.457899  1
  Ni  Ni95  1  0.511440  0.000982  0.440859  1
  Ni  Ni96  1  0.511440  0.342410  0.424150  1
  Ni  Ni97  1  0.511440  0.552483  0.446571  1
  Ni  Ni98  1  0.511440  0.894393  0.429805  1
  Ni  Ni99  1  0.511440  0.211072  0.463026  1
  Ni  Ni100  1  1.011440  0.488208  0.466147  1
  Ni  Ni101  1  1.011440  0.830029  0.449442  1
  Ni  Ni102  1  1.011440  0.171701  0.432450  1
  Ni  Ni103  1  1.011440  0.698422  0.488388  1
  Ni  Ni104  1  1.011440  0.040346  0.471380  1
  Ni  Ni105  1  1.011440  0.356882  0.504946  1
  Ni  Ni106  1  0.511440  0.634100  0.507997  1
  Ni  Ni107  1  0.511440  0.976046  0.491014  1
  Ni  Ni108  1  0.511440  0.317518  0.474354  1
  Ni  Ni109  1  0.511440  0.527588  0.496708  1
  Ni  Ni110  1  0.511440  0.869430  0.479893  1
  Ni  Ni111  1  0.511440  0.186186  0.513232  1
  Ni  Ni112  1  1.011440  0.463339  0.516312  1
  Ni  Ni113  1  1.011440  0.805061  0.499506  1
  Ni  Ni114  1  1.011440  0.146832  0.482660  1
  Ni  Ni115  1  1.011440  0.673476  0.538506  1
  Ni  Ni116  1  1.011440  0.015425  0.521521  1
  Ni  Ni117  1  1.011440  0.332002  0.555132  1
  Ni  Ni118  1  0.511440  0.609206  0.558165  1
  Ni  Ni119  1  0.511440  0.951099  0.541113  1
  Ni  Ni120  1  0.511440  0.292641  0.524555  1
  Ni  Ni121  1  0.511440  0.502719  0.546884  1
  Ni  Ni122  1  0.511440  0.844462  0.529959  1
  Ni  Ni123  1  0.511440  0.161254  0.563413  1
  Ni  Ni124  1  1.011440  0.438498  0.566503  1
  Ni  Ni125  1  1.011440  0.780086  0.549576  1
  Ni  Ni126  1  1.011440  0.121919  0.532841  1
  Ni  Ni127  1  1.011440  0.648592  0.588713  1
  Ni  Ni128  1  1.011440  0.990513  0.571614  1
  Ni  Ni129  1  1.011440  0.307055  0.605332  1
  Ni  Ni130  1  0.511440  0.584364  0.608358  1
  Ni  Ni131  1  0.511440  0.926133  0.591133  1
  Ni  Ni132  1  0.511440  0.267733  0.574733  1
  Ni  Ni133  1  0.511440  0.477898  0.597122  1
  Ni  Ni134  1  0.511440  0.819501  0.580002  1
  Ni  Ni135  1  0.511440  0.136271  0.613556  1
  Ni  Ni136  1  1.011440  0.413527  0.616597  1
  Ni  Ni137  1  1.011440  0.755124  0.599667  1
  Ni  Ni138  1  1.011440  0.096949  0.582985  1
  Ni  Ni139  1  1.011440  0.624021  0.638867  1
  Ni  Ni140  1  1.011440  0.965622  0.621545  1
  Ni  Ni141  1  1.011440  0.281964  0.655095  1
  Ni  Ni142  1  0.511440  0.560202  0.658314  1
  Ni  Ni143  1  0.511440  0.901350  0.641017  1
  Ni  Ni144  1  0.511440  0.242541  0.624804  1
  Ni  Ni145  1  0.511440  0.453074  0.647032  1
  Ni  Ni146  1  0.511440  0.794809  0.629948  1
  Ni  Ni147  1  0.511440  0.111423  0.663751  1
  Ni  Ni148  1  1.011440  0.389099  0.666431  1
  Ni  Ni149  1  1.011440  0.730738  0.649626  1
  Ni  Ni150  1  1.011440  0.072112  0.633069  1
  Ni  Ni151  1  1.011440  0.601077  0.688490  1
  Ni  Ni152  1  1.011440  0.941329  0.670887  1
  Ni  Ni153  1  1.011440  0.258990  0.704139  1
  Ni  Ni154  1  0.511440  0.535442  0.706439  1
  Ni  Ni155  1  0.511440  0.877295  0.690263  1
  Ni  Ni156  1  0.511440  0.217884  0.674346  1
  Ni  Ni157  1  0.511440  0.429713  0.696640  1
  Ni  Ni158  1  0.511440  0.771269  0.679251  1
  Ni  Ni159  1  0.511440  0.084234  0.711915  1
  Ni  Ni160  1  1.011440  0.363875  0.714517  1
  Ni  Ni161  1  1.011440  0.707643  0.698684  1
  Ni  Ni162  1  1.011440  0.046866  0.682298  1
