# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48413268
_cell_length_b   7.96921040
_cell_length_c   47.46445237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.53965535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr54 Ni108'
_cell_volume   3953.6568729
_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  0.887425  0.438643  0.282031  1
  Cr  Cr2  1  0.198031  0.405373  0.297780  1
  Cr  Cr3  1  0.507790  0.372589  0.313188  1
  Cr  Cr4  1  0.742528  0.954900  0.274794  1
  Cr  Cr5  1  0.028276  0.928499  0.289301  1
  Cr  Cr6  1  0.355359  0.889799  0.306007  1
  Cr  Cr7  1  0.830364  0.341573  0.332322  1
  Cr  Cr8  1  0.143989  0.307795  0.348027  1
  Cr  Cr9  1  0.457052  0.277164  0.364279  1
  Cr  Cr10  1  0.671057  0.856912  0.323845  1
  Cr  Cr11  1  0.986105  0.823904  0.340129  1
  Cr  Cr12  1  0.300797  0.793023  0.356180  1
  Cr  Cr13  1  0.772335  0.242890  0.381345  1
  Cr  Cr14  1  0.090514  0.209835  0.398598  1
  Cr  Cr15  1  0.403244  0.176983  0.414803  1
  Cr  Cr16  1  0.615015  0.758691  0.373015  1
  Cr  Cr17  1  0.931065  0.726491  0.389909  1
  Cr  Cr18  1  0.247083  0.693221  0.406768  1
  Cr  Cr19  1  0.718385  0.143909  0.431568  1
  Cr  Cr20  1  0.033942  0.111258  0.448467  1
  Cr  Cr21  1  0.349457  0.078134  0.465221  1
  Cr  Cr22  1  0.560870  0.660215  0.423265  1
  Cr  Cr23  1  0.875655  0.627559  0.439873  1
  Cr  Cr24  1  0.191950  0.594748  0.456917  1
  Cr  Cr25  1  0.664162  0.045024  0.481887  1
  Cr  Cr26  1  0.979314  0.012336  0.498637  1
  Cr  Cr27  1  0.294263  0.979490  0.515299  1
  Cr  Cr28  1  0.506785  0.561371  0.473572  1
  Cr  Cr29  1  0.821734  0.528712  0.490218  1
  Cr  Cr30  1  0.136675  0.495916  0.506969  1
  Cr  Cr31  1  0.609565  0.946270  0.532098  1
  Cr  Cr32  1  0.925071  0.913250  0.548910  1
  Cr  Cr33  1  0.239927  0.880909  0.565558  1
  Cr  Cr34  1  0.452051  0.462885  0.523726  1
  Cr  Cr35  1  0.767077  0.429716  0.540410  1
  Cr  Cr36  1  0.083029  0.397128  0.557383  1
  Cr  Cr37  1  0.554509  0.847413  0.582226  1
  Cr  Cr38  1  0.869656  0.814807  0.599016  1
  Cr  Cr39  1  0.187270  0.781315  0.615920  1
  Cr  Cr40  1  0.396903  0.364087  0.573821  1
  Cr  Cr41  1  0.711943  0.331150  0.590518  1
  Cr  Cr42  1  0.028503  0.297837  0.607496  1
  Cr  Cr43  1  0.498640  0.748518  0.632559  1
  Cr  Cr44  1  0.816501  0.715325  0.648900  1
  Cr  Cr45  1  0.128422  0.684273  0.665217  1
  Cr  Cr46  1  0.343403  0.265469  0.624490  1
  Cr  Cr47  1  0.656067  0.231683  0.640458  1
  Cr  Cr48  1  0.974411  0.200475  0.657291  1
  Cr  Cr49  1  0.452753  0.650195  0.683872  1
  Cr  Cr50  1  0.758420  0.619173  0.698363  1
  Cr  Cr51  1  0.071254  0.588094  0.715010  1
  Cr  Cr52  1  0.286572  0.167094  0.673949  1
  Cr  Cr53  1  0.610413  0.134360  0.690905  1
  Cr  Cr54  1  0.911603  0.102280  0.706903  1
  Ni  Ni55  1  0.711159  0.249933  0.291374  1
  Ni  Ni56  1  0.019536  0.221040  0.307318  1
  Ni  Ni57  1  0.336254  0.186994  0.323465  1
  Ni  Ni58  1  0.845465  0.040209  0.317370  1
  Ni  Ni59  1  0.212313  0.103961  0.283455  1
  Ni  Ni60  1  0.532632  0.067945  0.298074  1
  Ni  Ni61  1  0.863204  0.730768  0.299932  1
  Ni  Ni62  1  0.176976  0.709079  0.315025  1
  Ni  Ni63  1  0.556659  0.767716  0.282698  1
  Ni  Ni64  1  0.687290  0.551248  0.307059  1
  Ni  Ni65  1  0.059078  0.628494  0.275269  1
  Ni  Ni66  1  0.370263  0.596430  0.290167  1
  Ni  Ni67  1  0.649408  0.157955  0.339605  1
  Ni  Ni68  1  0.969143  0.123759  0.357362  1
  Ni  Ni69  1  0.282448  0.090525  0.373050  1
  Ni  Ni70  1  0.790900  0.943588  0.365472  1
  Ni  Ni71  1  0.158984  0.007886  0.331612  1
  Ni  Ni72  1  0.475556  0.975556  0.347866  1
  Ni  Ni73  1  0.809637  0.638781  0.348419  1
  Ni  Ni74  1  0.125966  0.607534  0.365089  1
  Ni  Ni75  1  0.493800  0.672136  0.331148  1
  Ni  Ni76  1  0.631602  0.458957  0.355944  1
  Ni  Ni77  1  1.006075  0.523633  0.323866  1
  Ni  Ni78  1  0.317039  0.494447  0.339460  1
  Ni  Ni79  1  0.596392  0.058512  0.389624  1
  Ni  Ni80  1  0.912986  0.025685  0.406765  1
  Ni  Ni81  1  0.228541  0.991948  0.423513  1
  Ni  Ni82  1  0.736199  0.844758  0.415025  1
  Ni  Ni83  1  0.107455  0.909799  0.382046  1
  Ni  Ni84  1  0.421646  0.877665  0.398264  1
  Ni  Ni85  1  0.754263  0.541329  0.397900  1
  Ni  Ni86  1  0.071038  0.509271  0.415171  1
  Ni  Ni87  1  0.439564  0.574945  0.381248  1
  Ni  Ni88  1  0.578607  0.361297  0.406498  1
  Ni  Ni89  1  0.950541  0.426816  0.373799  1
  Ni  Ni90  1  0.264439  0.394345  0.389991  1
  Ni  Ni91  1  0.542903  0.959454  0.439947  1
  Ni  Ni92  1  0.857963  0.926513  0.456718  1
  Ni  Ni93  1  0.173386  0.893765  0.473484  1
  Ni  Ni94  1  0.682094  0.745941  0.465244  1
  Ni  Ni95  1  0.052021  0.811782  0.431910  1
  Ni  Ni96  1  0.367586  0.778787  0.448659  1
  Ni  Ni97  1  0.700455  0.442836  0.448227  1
  Ni  Ni98  1  0.015562  0.410371  0.465040  1
  Ni  Ni99  1  0.385753  0.475686  0.431673  1
  Ni  Ni100  1  0.524701  0.262339  0.456831  1
  Ni  Ni101  1  0.894276  0.328374  0.423334  1
  Ni  Ni102  1  0.210100  0.295614  0.440367  1
  Ni  Ni103  1  0.488635  0.860612  0.490230  1
  Ni  Ni104  1  0.803747  0.827688  0.506936  1
  Ni  Ni105  1  0.118716  0.795012  0.523625  1
  Ni  Ni106  1  0.627777  0.647194  0.515439  1
  Ni  Ni107  1  0.997203  0.713203  0.481922  1
  Ni  Ni108  1  0.312597  0.680256  0.498763  1
  Ni  Ni109  1  0.646138  0.344062  0.498493  1
  Ni  Ni110  1  0.961345  0.311453  0.515322  1
  Ni  Ni111  1  0.331201  0.377237  0.481897  1
  Ni  Ni112  1  0.470207  0.163710  0.507075  1
  Ni  Ni113  1  0.839779  0.229638  0.473573  1
  Ni  Ni114  1  0.154882  0.196915  0.490334  1
  Ni  Ni115  1  0.433776  0.762062  0.540318  1
  Ni  Ni116  1  0.749052  0.729067  0.557059  1
  Ni  Ni117  1  0.064761  0.696021  0.573976  1
  Ni  Ni118  1  0.572969  0.548569  0.565508  1
  Ni  Ni119  1  0.943075  0.614341  0.532204  1
  Ni  Ni120  1  0.257813  0.581688  0.548891  1
  Ni  Ni121  1  0.591327  0.245508  0.548637  1
  Ni  Ni122  1  0.906969  0.212600  0.565506  1
  Ni  Ni123  1  0.276212  0.278546  0.531949  1
  Ni  Ni124  1  0.415265  0.065006  0.557149  1
  Ni  Ni125  1  0.785450  0.130728  0.523805  1
  Ni  Ni126  1  0.100531  0.098197  0.540595  1
  Ni  Ni127  1  0.379260  0.663318  0.590451  1
  Ni  Ni128  1  0.693868  0.630537  0.607129  1
  Ni  Ni129  1  0.009768  0.597362  0.623621  1
  Ni  Ni130  1  0.517731  0.450153  0.615545  1
  Ni  Ni131  1  0.888164  0.515553  0.582164  1
  Ni  Ni132  1  0.204697  0.482628  0.599486  1
  Ni  Ni133  1  0.536201  0.146931  0.598679  1
  Ni  Ni134  1  0.851793  0.114230  0.615459  1
  Ni  Ni135  1  0.222201  0.179635  0.582358  1
  Ni  Ni136  1  0.361599  0.966870  0.607522  1
  Ni  Ni137  1  0.730584  0.032300  0.573845  1
  Ni  Ni138  1  0.046198  0.998608  0.590813  1
  Ni  Ni139  1  0.326712  0.565116  0.641479  1
  Ni  Ni140  1  0.640113  0.531465  0.656823  1
  Ni  Ni141  1  0.954929  0.499862  0.673484  1
  Ni  Ni142  1  0.465471  0.351541  0.665974  1
  Ni  Ni143  1  0.833746  0.416764  0.631900  1
  Ni  Ni144  1  0.149600  0.385277  0.649419  1
  Ni  Ni145  1  0.482513  0.049623  0.649350  1
  Ni  Ni146  1  0.798682  0.015199  0.664793  1
  Ni  Ni147  1  0.168127  0.080092  0.632393  1
  Ni  Ni148  1  0.307924  0.866884  0.657866  1
  Ni  Ni149  1  0.675169  0.933214  0.623728  1
  Ni  Ni150  1  0.992212  0.901243  0.640666  1
  Ni  Ni151  1  0.271302  0.473638  0.690484  1
  Ni  Ni152  1  0.591433  0.427423  0.706771  1
  Ni  Ni153  1  0.895722  0.402077  0.721524  1
  Ni  Ni154  1  0.409191  0.257016  0.713644  1
  Ni  Ni155  1  0.780916  0.320274  0.680647  1
  Ni  Ni156  1  0.094847  0.289184  0.698844  1
  Ni  Ni157  1  0.431498  0.955992  0.698547  1
  Ni  Ni158  1  0.740603  0.912036  0.713939  1
  Ni  Ni159  1  0.112042  0.986201  0.682273  1
  Ni  Ni160  1  0.251151  0.775538  0.705883  1
  Ni  Ni161  1  0.622725  0.837275  0.672794  1
  Ni  Ni162  1  0.936217  0.804181  0.690018  1
