# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.82067163
_cell_length_b   10.73237934
_cell_length_c   52.40475415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.70672439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr90 Ni180'
_cell_volume   6519.43043679
_cell_formula_units_Z   90
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  0.081347  0.614739  0.320179  1
  Cr  Cr2  1  0.748014  0.614739  0.320179  1
  Cr  Cr3  1  0.008915  0.478937  0.350864  1
  Cr  Cr4  1  0.414680  0.614739  0.320179  1
  Cr  Cr5  1  0.675581  0.478937  0.350864  1
  Cr  Cr6  1  0.161458  0.744914  0.290518  1
  Cr  Cr7  1  0.342248  0.478937  0.350864  1
  Cr  Cr8  1  0.828125  0.744914  0.290518  1
  Cr  Cr9  1  0.494792  0.744914  0.290518  1
  Cr  Cr10  1  0.031061  0.308967  0.276208  1
  Cr  Cr11  1  0.697728  0.308967  0.276208  1
  Cr  Cr12  1  0.944414  0.181997  0.304692  1
  Cr  Cr13  1  0.364395  0.308967  0.276208  1
  Cr  Cr14  1  0.611081  0.181997  0.304692  1
  Cr  Cr15  1  0.880656  0.044841  0.335814  1
  Cr  Cr16  1  0.277747  0.181997  0.304692  1
  Cr  Cr17  1  0.547323  0.044841  0.335814  1
  Cr  Cr18  1  0.213989  0.044841  0.335814  1
  Cr  Cr19  1  0.866021  0.212023  0.411637  1
  Cr  Cr20  1  0.532688  0.212023  0.411637  1
  Cr  Cr21  1  0.793530  0.078795  0.441839  1
  Cr  Cr22  1  0.199355  0.212023  0.411637  1
  Cr  Cr23  1  0.460197  0.078795  0.441839  1
  Cr  Cr24  1  0.937446  0.345836  0.380962  1
  Cr  Cr25  1  0.126864  0.078795  0.441839  1
  Cr  Cr26  1  0.604113  0.345836  0.380962  1
  Cr  Cr27  1  0.270779  0.345836  0.380962  1
  Cr  Cr28  1  0.806338  0.913031  0.366030  1
  Cr  Cr29  1  0.473005  0.913031  0.366030  1
  Cr  Cr30  1  0.734767  0.778529  0.396390  1
  Cr  Cr31  1  0.139672  0.913031  0.366030  1
  Cr  Cr32  1  0.401434  0.778529  0.396390  1
  Cr  Cr33  1  0.663125  0.645232  0.426777  1
  Cr  Cr34  1  0.068100  0.778529  0.396390  1
  Cr  Cr35  1  0.329792  0.645232  0.426777  1
  Cr  Cr36  1  0.996458  0.645232  0.426777  1
  Cr  Cr37  1  0.650209  0.811554  0.502674  1
  Cr  Cr38  1  0.316876  0.811554  0.502674  1
  Cr  Cr39  1  0.578233  0.678094  0.533053  1
  Cr  Cr40  1  0.983542  0.811554  0.502674  1
  Cr  Cr41  1  0.244900  0.678094  0.533053  1
  Cr  Cr42  1  0.722193  0.944950  0.472338  1
  Cr  Cr43  1  0.911567  0.678094  0.533053  1
  Cr  Cr44  1  0.388860  0.944950  0.472338  1
  Cr  Cr45  1  0.055526  0.944950  0.472338  1
  Cr  Cr46  1  0.591188  0.511806  0.457082  1
  Cr  Cr47  1  0.257854  0.511806  0.457082  1
  Cr  Cr48  1  0.519444  0.378207  0.487531  1
  Cr  Cr49  1  0.924521  0.511806  0.457082  1
  Cr  Cr50  1  0.186111  0.378207  0.487531  1
  Cr  Cr51  1  0.447490  0.244816  0.517845  1
  Cr  Cr52  1  0.852778  0.378207  0.487531  1
  Cr  Cr53  1  0.114156  0.244816  0.517845  1
  Cr  Cr54  1  0.780823  0.244816  0.517845  1
  Cr  Cr55  1  0.434866  0.410998  0.593746  1
  Cr  Cr56  1  0.101532  0.410998  0.593746  1
  Cr  Cr57  1  0.361761  0.276755  0.624218  1
  Cr  Cr58  1  0.768199  0.410998  0.593746  1
  Cr  Cr59  1  0.028428  0.276755  0.624218  1
  Cr  Cr60  1  0.506771  0.544494  0.563457  1
  Cr  Cr61  1  0.695095  0.276755  0.624218  1
  Cr  Cr62  1  0.173438  0.544494  0.563457  1
  Cr  Cr63  1  0.840104  0.544494  0.563457  1
  Cr  Cr64  1  0.376061  0.110974  0.548356  1
  Cr  Cr65  1  0.042728  0.110974  0.548356  1
  Cr  Cr66  1  0.303394  0.977748  0.578591  1
  Cr  Cr67  1  0.709394  0.110974  0.548356  1
  Cr  Cr68  1  0.970061  0.977748  0.578591  1
  Cr  Cr69  1  0.232505  0.844414  0.609173  1
  Cr  Cr70  1  0.636727  0.977748  0.578591  1
  Cr  Cr71  1  0.899172  0.844414  0.609173  1
  Cr  Cr72  1  0.565839  0.844414  0.609173  1
  Cr  Cr73  1  0.227907  0.007303  0.686010  1
  Cr  Cr74  1  0.894574  0.007303  0.686010  1
  Cr  Cr75  1  0.133567  0.880170  0.714318  1
  Cr  Cr76  1  0.561240  0.007303  0.686010  1
  Cr  Cr77  1  0.800233  0.880170  0.714318  1
  Cr  Cr78  1  0.290534  0.144511  0.654481  1
  Cr  Cr79  1  0.466900  0.880170  0.714318  1
  Cr  Cr80  1  0.957201  0.144511  0.654481  1
  Cr  Cr81  1  0.623868  0.144511  0.654481  1
  Cr  Cr82  1  0.162033  0.710253  0.639447  1
  Cr  Cr83  1  0.828699  0.710253  0.639447  1
  Cr  Cr84  1  0.082684  0.576547  0.669680  1
  Cr  Cr85  1  0.495366  0.710253  0.639447  1
  Cr  Cr86  1  0.749351  0.576547  0.669680  1
  Cr  Cr87  1  0.013116  0.440826  0.700233  1
  Cr  Cr88  1  0.416018  0.576547  0.669680  1
  Cr  Cr89  1  0.679783  0.440826  0.700233  1
  Cr  Cr90  1  0.346450  0.440826  0.700233  1
  Ni  Ni91  1  0.953374  0.508260  0.305992  1
  Ni  Ni92  1  0.620041  0.508260  0.305992  1
  Ni  Ni93  1  0.876665  0.378776  0.335307  1
  Ni  Ni94  1  0.286708  0.508260  0.305992  1
  Ni  Ni95  1  0.543332  0.378776  0.335307  1
  Ni  Ni96  1  0.807564  0.244340  0.366005  1
  Ni  Ni97  1  0.209998  0.378776  0.335307  1
  Ni  Ni98  1  0.474231  0.244340  0.366005  1
  Ni  Ni99  1  0.140897  0.244340  0.366005  1
  Ni  Ni100  1  0.154191  0.416292  0.290538  1
  Ni  Ni101  1  0.820858  0.416292  0.290538  1
  Ni  Ni102  1  0.079204  0.277702  0.320966  1
  Ni  Ni103  1  0.487524  0.416292  0.290538  1
  Ni  Ni104  1  0.745871  0.277702  0.320966  1
  Ni  Ni105  1  0.008919  0.147025  0.350533  1
  Ni  Ni106  1  0.412537  0.277702  0.320966  1
  Ni  Ni107  1  0.675586  0.147025  0.350533  1
  Ni  Ni108  1  0.342253  0.147025  0.350533  1
  Ni  Ni109  1  0.009341  0.811151  0.350827  1
  Ni  Ni110  1  0.676008  0.811151  0.350827  1
  Ni  Ni111  1  0.149976  0.071016  0.290713  1
  Ni  Ni112  1  0.342674  0.811151  0.350827  1
  Ni  Ni113  1  0.816643  0.071016  0.290713  1
  Ni  Ni114  1  0.082587  0.944266  0.320619  1
  Ni  Ni115  1  0.483309  0.071016  0.290713  1
  Ni  Ni116  1  0.749254  0.944266  0.320619  1
  Ni  Ni117  1  0.415920  0.944266  0.320619  1
  Ni  Ni118  1  0.877920  0.713221  0.336099  1
  Ni  Ni119  1  0.544587  0.713221  0.336099  1
  Ni  Ni120  1  0.017434  0.975983  0.276509  1
  Ni  Ni121  1  0.211253  0.713221  0.336099  1
  Ni  Ni122  1  0.684101  0.975983  0.276509  1
  Ni  Ni123  1  0.952951  0.845425  0.305776  1
  Ni  Ni124  1  0.350768  0.975983  0.276509  1
  Ni  Ni125  1  0.619618  0.845425  0.305776  1
  Ni  Ni126  1  0.286284  0.845425  0.305776  1
  Ni  Ni127  1  0.734994  0.111832  0.396077  1
  Ni  Ni128  1  0.401660  0.111832  0.396077  1
  Ni  Ni129  1  0.663406  0.977687  0.426647  1
  Ni  Ni130  1  0.068327  0.111832  0.396077  1
  Ni  Ni131  1  0.330073  0.977687  0.426647  1
  Ni  Ni132  1  0.591597  0.844403  0.456966  1
  Ni  Ni133  1  0.996740  0.977687  0.426647  1
  Ni  Ni134  1  0.258263  0.844403  0.456966  1
  Ni  Ni135  1  0.924930  0.844403  0.456966  1
  Ni  Ni136  1  0.937343  0.012957  0.381442  1
  Ni  Ni137  1  0.604010  0.012957  0.381442  1
  Ni  Ni138  1  0.865093  0.879690  0.411691  1
  Ni  Ni139  1  0.270677  0.012957  0.381442  1
  Ni  Ni140  1  0.531759  0.879690  0.411691  1
  Ni  Ni141  1  0.793586  0.745913  0.442072  1
  Ni  Ni142  1  0.198426  0.879690  0.411691  1
  Ni  Ni143  1  0.460252  0.745913  0.442072  1
  Ni  Ni144  1  0.126919  0.745913  0.442072  1
  Ni  Ni145  1  0.794232  0.411023  0.441828  1
  Ni  Ni146  1  0.460899  0.411023  0.441828  1
  Ni  Ni147  1  0.937336  0.677878  0.381161  1
  Ni  Ni148  1  0.127566  0.411023  0.441828  1
  Ni  Ni149  1  0.604003  0.677878  0.381161  1
  Ni  Ni150  1  0.865899  0.544390  0.411338  1
  Ni  Ni151  1  0.270669  0.677878  0.381161  1
  Ni  Ni152  1  0.532565  0.544390  0.411338  1
  Ni  Ni153  1  0.199232  0.544390  0.411338  1
  Ni  Ni154  1  0.662719  0.312929  0.426811  1
  Ni  Ni155  1  0.329386  0.312929  0.426811  1
  Ni  Ni156  1  0.805541  0.579668  0.365954  1
  Ni  Ni157  1  0.996053  0.312929  0.426811  1
  Ni  Ni158  1  0.472207  0.579668  0.365954  1
  Ni  Ni159  1  0.734690  0.446051  0.396555  1
  Ni  Ni160  1  0.138874  0.579668  0.365954  1
  Ni  Ni161  1  0.401357  0.446051  0.396555  1
  Ni  Ni162  1  0.068023  0.446051  0.396555  1
  Ni  Ni163  1  0.519784  0.710757  0.487355  1
  Ni  Ni164  1  0.186451  0.710757  0.487355  1
  Ni  Ni165  1  0.447898  0.577236  0.517753  1
  Ni  Ni166  1  0.853118  0.710757  0.487355  1
  Ni  Ni167  1  0.114564  0.577236  0.517753  1
  Ni  Ni168  1  0.376119  0.443845  0.548089  1
  Ni  Ni169  1  0.781231  0.577236  0.517753  1
  Ni  Ni170  1  0.042786  0.443845  0.548089  1
  Ni  Ni171  1  0.709453  0.443845  0.548089  1
  Ni  Ni172  1  0.721679  0.612499  0.472468  1
  Ni  Ni173  1  0.388346  0.612499  0.472468  1
  Ni  Ni174  1  0.649762  0.479025  0.502810  1
  Ni  Ni175  1  0.055012  0.612499  0.472468  1
  Ni  Ni176  1  0.316428  0.479025  0.502810  1
  Ni  Ni177  1  0.578092  0.345335  0.533241  1
  Ni  Ni178  1  0.983095  0.479025  0.502810  1
  Ni  Ni179  1  0.244759  0.345335  0.533241  1
  Ni  Ni180  1  0.911425  0.345335  0.533241  1
  Ni  Ni181  1  0.578741  0.010610  0.532877  1
  Ni  Ni182  1  0.245408  0.010610  0.532877  1
  Ni  Ni183  1  0.722219  0.277628  0.472125  1
  Ni  Ni184  1  0.912075  0.010610  0.532877  1
  Ni  Ni185  1  0.388885  0.277628  0.472125  1
  Ni  Ni186  1  0.650607  0.143977  0.502592  1
  Ni  Ni187  1  0.055552  0.277628  0.472125  1
  Ni  Ni188  1  0.317274  0.143977  0.502592  1
  Ni  Ni189  1  0.983941  0.143977  0.502592  1
  Ni  Ni190  1  0.447391  0.912244  0.518042  1
  Ni  Ni191  1  0.114058  0.912244  0.518042  1
  Ni  Ni192  1  0.590919  0.179164  0.457313  1
  Ni  Ni193  1  0.780724  0.912244  0.518042  1
  Ni  Ni194  1  0.257585  0.179164  0.457313  1
  Ni  Ni195  1  0.519086  0.045839  0.487592  1
  Ni  Ni196  1  0.924252  0.179164  0.457313  1
  Ni  Ni197  1  0.185753  0.045839  0.487592  1
  Ni  Ni198  1  0.852419  0.045839  0.487592  1
  Ni  Ni199  1  0.304472  0.309940  0.578511  1
  Ni  Ni200  1  0.971138  0.309940  0.578511  1
  Ni  Ni201  1  0.231510  0.176575  0.608818  1
  Ni  Ni202  1  0.637805  0.309940  0.578511  1
  Ni  Ni203  1  0.898176  0.176575  0.608818  1
  Ni  Ni204  1  0.161741  0.042803  0.639737  1
  Ni  Ni205  1  0.564843  0.176575  0.608818  1
  Ni  Ni206  1  0.828407  0.042803  0.639737  1
  Ni  Ni207  1  0.495074  0.042803  0.639737  1
  Ni  Ni208  1  0.506175  0.211899  0.563559  1
  Ni  Ni209  1  0.172842  0.211899  0.563559  1
  Ni  Ni210  1  0.434074  0.078023  0.594178  1
  Ni  Ni211  1  0.839508  0.211899  0.563559  1
  Ni  Ni212  1  0.100741  0.078023  0.594178  1
  Ni  Ni213  1  0.362887  0.945114  0.624280  1
  Ni  Ni214  1  0.767408  0.078023  0.594178  1
  Ni  Ni215  1  0.029554  0.945114  0.624280  1
  Ni  Ni216  1  0.696221  0.945114  0.624280  1
  Ni  Ni217  1  0.364076  0.610579  0.623915  1
  Ni  Ni218  1  0.030743  0.610579  0.623915  1
  Ni  Ni219  1  0.506724  0.877069  0.563352  1
  Ni  Ni220  1  0.697409  0.610579  0.623915  1
  Ni  Ni221  1  0.173391  0.877069  0.563352  1
  Ni  Ni222  1  0.435437  0.743831  0.593663  1
  Ni  Ni223  1  0.840058  0.877069  0.563352  1
  Ni  Ni224  1  0.102103  0.743831  0.593663  1
  Ni  Ni225  1  0.768770  0.743831  0.593663  1
  Ni  Ni226  1  0.232539  0.511770  0.609079  1
  Ni  Ni227  1  0.899205  0.511770  0.609079  1
  Ni  Ni228  1  0.375368  0.778807  0.548375  1
  Ni  Ni229  1  0.565872  0.511770  0.609079  1
  Ni  Ni230  1  0.042034  0.778807  0.548375  1
  Ni  Ni231  1  0.303882  0.645613  0.578719  1
  Ni  Ni232  1  0.708701  0.778807  0.548375  1
  Ni  Ni233  1  0.970548  0.645613  0.578719  1
  Ni  Ni234  1  0.637215  0.645613  0.578719  1
  Ni  Ni235  1  0.092556  0.911485  0.669368  1
  Ni  Ni236  1  0.759223  0.911485  0.669368  1
  Ni  Ni237  1  0.011703  0.772119  0.700209  1
  Ni  Ni238  1  0.425889  0.911485  0.669368  1
  Ni  Ni239  1  0.678370  0.772119  0.700209  1
  Ni  Ni240  1  0.938564  0.648135  0.728829  1
  Ni  Ni241  1  0.345036  0.772119  0.700209  1
  Ni  Ni242  1  0.605230  0.648135  0.728829  1
  Ni  Ni243  1  0.271897  0.648135  0.728829  1
  Ni  Ni244  1  0.293454  0.811623  0.654984  1
  Ni  Ni245  1  0.960121  0.811623  0.654984  1
  Ni  Ni246  1  0.212823  0.677264  0.684896  1
  Ni  Ni247  1  0.626787  0.811623  0.654984  1
  Ni  Ni248  1  0.879489  0.677264  0.684896  1
  Ni  Ni249  1  0.142908  0.545207  0.715257  1
  Ni  Ni250  1  0.546156  0.677264  0.684896  1
  Ni  Ni251  1  0.809574  0.545207  0.715257  1
  Ni  Ni252  1  0.476241  0.545207  0.715257  1
  Ni  Ni253  1  0.158232  0.214276  0.713966  1
  Ni  Ni254  1  0.824899  0.214276  0.713966  1
  Ni  Ni255  1  0.289119  0.475947  0.654374  1
  Ni  Ni256  1  0.491565  0.214276  0.713966  1
  Ni  Ni257  1  0.955786  0.475947  0.654374  1
  Ni  Ni258  1  0.218075  0.346710  0.684310  1
  Ni  Ni259  1  0.622453  0.475947  0.654374  1
  Ni  Ni260  1  0.884742  0.346710  0.684310  1
  Ni  Ni261  1  0.551408  0.346710  0.684310  1
  Ni  Ni262  1  0.022987  0.121481  0.699364  1
  Ni  Ni263  1  0.689654  0.121481  0.699364  1
  Ni  Ni264  1  0.158311  0.378810  0.639263  1
  Ni  Ni265  1  0.356321  0.121481  0.699364  1
  Ni  Ni266  1  0.824978  0.378810  0.639263  1
  Ni  Ni267  1  0.089900  0.244725  0.669472  1
  Ni  Ni268  1  0.491644  0.378810  0.639263  1
  Ni  Ni269  1  0.756566  0.244725  0.669472  1
  Ni  Ni270  1  0.423233  0.244725  0.669472  1
