# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28706451
_cell_length_b   22.68223192
_cell_length_c   46.92521620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.13442626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr60 Ni120'
_cell_volume   4552.63598819
_cell_formula_units_Z   60
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  0.990277  0.943146  0.306287  1
  Cr  Cr2  1  0.870207  0.274681  0.320660  1
  Cr  Cr3  1  0.116205  0.611821  0.291899  1
  Cr  Cr4  1  0.430130  0.108790  0.313476  1
  Cr  Cr5  1  0.692206  0.445508  0.286551  1
  Cr  Cr6  1  0.551602  0.777456  0.299105  1
  Cr  Cr7  1  0.646740  0.934997  0.349906  1
  Cr  Cr8  1  0.528234  0.265755  0.364249  1
  Cr  Cr9  1  0.762399  0.604431  0.335618  1
  Cr  Cr10  1  0.087582  0.100375  0.357088  1
  Cr  Cr11  1  0.308721  0.439364  0.328027  1
  Cr  Cr12  1  0.205627  0.769635  0.342731  1
  Cr  Cr13  1  0.291717  0.926821  0.393138  1
  Cr  Cr14  1  0.175063  0.257207  0.407799  1
  Cr  Cr15  1  0.408310  0.596069  0.378805  1
  Cr  Cr16  1  0.733149  0.092156  0.400301  1
  Cr  Cr17  1  0.968079  0.430831  0.372214  1
  Cr  Cr18  1  0.850344  0.761489  0.385990  1
  Cr  Cr19  1  0.939515  0.918579  0.436771  1
  Cr  Cr20  1  0.821785  0.249146  0.451262  1
  Cr  Cr21  1  0.056480  0.588032  0.422611  1
  Cr  Cr22  1  0.381171  0.083855  0.443944  1
  Cr  Cr23  1  0.613043  0.422655  0.415151  1
  Cr  Cr24  1  0.497876  0.753263  0.429616  1
  Cr  Cr25  1  0.586442  0.910346  0.480372  1
  Cr  Cr26  1  0.469208  0.240903  0.494858  1
  Cr  Cr27  1  0.702383  0.579727  0.466025  1
  Cr  Cr28  1  0.028020  0.075638  0.487509  1
  Cr  Cr29  1  0.262114  0.414422  0.458894  1
  Cr  Cr30  1  0.144749  0.745068  0.473255  1
  Cr  Cr31  1  0.233241  0.902156  0.523945  1
  Cr  Cr32  1  0.115949  0.232740  0.538306  1
  Cr  Cr33  1  0.349769  0.571583  0.509743  1
  Cr  Cr34  1  0.674966  0.067395  0.531091  1
  Cr  Cr35  1  0.908313  0.406289  0.502306  1
  Cr  Cr36  1  0.791328  0.736869  0.516806  1
  Cr  Cr37  1  0.880642  0.893983  0.567551  1
  Cr  Cr38  1  0.763648  0.224466  0.581797  1
  Cr  Cr39  1  0.995585  0.563368  0.553257  1
  Cr  Cr40  1  0.322309  0.059224  0.574652  1
  Cr  Cr41  1  0.555201  0.398102  0.545934  1
  Cr  Cr42  1  0.438425  0.728687  0.560446  1
  Cr  Cr43  1  0.529389  0.885835  0.611175  1
  Cr  Cr44  1  0.412470  0.216272  0.625225  1
  Cr  Cr45  1  0.643364  0.555049  0.597041  1
  Cr  Cr46  1  0.971856  0.051102  0.618297  1
  Cr  Cr47  1  0.201638  0.389789  0.589518  1
  Cr  Cr48  1  0.086215  0.720495  0.604056  1
  Cr  Cr49  1  0.176137  0.877741  0.654411  1
  Cr  Cr50  1  0.064483  0.207957  0.668396  1
  Cr  Cr51  1  0.285549  0.546919  0.640192  1
  Cr  Cr52  1  0.620744  0.042996  0.661490  1
  Cr  Cr53  1  0.844851  0.381616  0.632988  1
  Cr  Cr54  1  0.731072  0.712311  0.647306  1
  Cr  Cr55  1  0.834190  0.869595  0.698019  1
  Cr  Cr56  1  0.730283  0.200739  0.712043  1
  Cr  Cr57  1  0.940483  0.538199  0.683882  1
  Cr  Cr58  1  0.281026  0.035474  0.705153  1
  Cr  Cr59  1  0.494539  0.372454  0.676506  1
  Cr  Cr60  1  0.387746  0.703964  0.690901  1
  Ni  Ni61  1  0.386135  0.218968  0.319104  1
  Ni  Ni62  1  0.635130  0.555608  0.290540  1
  Ni  Ni63  1  0.506456  0.887605  0.304743  1
  Ni  Ni64  1  0.906083  0.164045  0.316755  1
  Ni  Ni65  1  0.157714  0.502005  0.287950  1
  Ni  Ni66  1  0.026679  0.832735  0.302352  1
  Ni  Ni67  1  0.946101  0.053265  0.311934  1
  Ni  Ni68  1  0.827467  0.383694  0.327596  1
  Ni  Ni69  1  0.068388  0.721992  0.297539  1
  Ni  Ni70  1  0.466033  0.998339  0.309543  1
  Ni  Ni71  1  0.345690  0.329918  0.323751  1
  Ni  Ni72  1  0.589677  0.666898  0.295143  1
  Ni  Ni73  1  0.044903  0.210270  0.361671  1
  Ni  Ni74  1  0.276670  0.548948  0.332952  1
  Ni  Ni75  1  0.163138  0.879543  0.347286  1
  Ni  Ni76  1  0.564253  0.155931  0.359273  1
  Ni  Ni77  1  0.793639  0.495078  0.331299  1
  Ni  Ni78  1  0.682564  0.825149  0.344928  1
  Ni  Ni79  1  0.603918  0.044942  0.354457  1
  Ni  Ni80  1  0.483874  0.375204  0.369348  1
  Ni  Ni81  1  0.721888  0.714195  0.340112  1
  Ni  Ni82  1  0.123445  0.990530  0.352096  1
  Ni  Ni83  1  0.006321  0.320589  0.367048  1
  Ni  Ni84  1  0.240608  0.659831  0.337746  1
  Ni  Ni85  1  0.694244  0.201783  0.405220  1
  Ni  Ni86  1  0.928041  0.540622  0.376830  1
  Ni  Ni87  1  0.811320  0.871136  0.390864  1
  Ni  Ni88  1  0.213482  0.147751  0.402870  1
  Ni  Ni89  1  0.445768  0.486191  0.373962  1
  Ni  Ni90  1  0.330506  0.817123  0.388518  1
  Ni  Ni91  1  0.252717  0.036458  0.398028  1
  Ni  Ni92  1  0.133639  0.366903  0.412955  1
  Ni  Ni93  1  0.369836  0.705775  0.383689  1
  Ni  Ni94  1  0.771881  0.982469  0.395673  1
  Ni  Ni95  1  0.653409  0.312914  0.410356  1
  Ni  Ni96  1  0.888981  0.651816  0.381404  1
  Ni  Ni97  1  0.342071  0.193541  0.448847  1
  Ni  Ni98  1  0.574781  0.532318  0.420006  1
  Ni  Ni99  1  0.458896  0.863030  0.434398  1
  Ni  Ni100  1  0.861242  0.139418  0.446362  1
  Ni  Ni101  1  0.094528  0.478240  0.417935  1
  Ni  Ni102  1  0.978135  0.808812  0.432053  1
  Ni  Ni103  1  0.900497  0.028339  0.441546  1
  Ni  Ni104  1  0.781666  0.358926  0.456259  1
  Ni  Ni105  1  0.017378  0.697746  0.427279  1
  Ni  Ni106  1  0.419745  0.974102  0.439193  1
  Ni  Ni107  1  0.301524  0.304631  0.453917  1
  Ni  Ni108  1  0.536457  0.643482  0.424871  1
  Ni  Ni109  1  0.989011  0.185358  0.492316  1
  Ni  Ni110  1  0.222411  0.524213  0.463771  1
  Ni  Ni111  1  0.105902  0.854780  0.477973  1
  Ni  Ni112  1  0.508437  0.131168  0.489956  1
  Ni  Ni113  1  0.741402  0.470024  0.461234  1
  Ni  Ni114  1  0.625051  0.800636  0.475617  1
  Ni  Ni115  1  0.547578  0.020048  0.485116  1
  Ni  Ni116  1  0.429179  0.350691  0.499825  1
  Ni  Ni117  1  0.664000  0.689472  0.470817  1
  Ni  Ni118  1  0.066747  0.965927  0.482756  1
  Ni  Ni119  1  0.948642  0.296529  0.497323  1
  Ni  Ni120  1  0.183234  0.635372  0.468545  1
  Ni  Ni121  1  0.636112  0.177108  0.535868  1
  Ni  Ni122  1  0.868973  0.515989  0.507228  1
  Ni  Ni123  1  0.752885  0.846581  0.521560  1
  Ni  Ni124  1  0.155340  0.122977  0.533471  1
  Ni  Ni125  1  0.388449  0.461864  0.504916  1
  Ni  Ni126  1  0.272044  0.792450  0.519225  1
  Ni  Ni127  1  0.194633  0.011851  0.528682  1
  Ni  Ni128  1  0.076304  0.342538  0.543255  1
  Ni  Ni129  1  0.311066  0.681297  0.514471  1
  Ni  Ni130  1  0.713850  0.957713  0.526348  1
  Ni  Ni131  1  0.596026  0.288300  0.540825  1
  Ni  Ni132  1  0.830056  0.627144  0.512049  1
  Ni  Ni133  1  0.283579  0.168940  0.579333  1
  Ni  Ni134  1  0.515510  0.507813  0.550915  1
  Ni  Ni135  1  0.400245  0.838461  0.565138  1
  Ni  Ni136  1  0.802969  0.114719  0.577023  1
  Ni  Ni137  1  0.034703  0.453610  0.548420  1
  Ni  Ni138  1  0.919284  0.784234  0.562781  1
  Ni  Ni139  1  0.842225  0.003713  0.572264  1
  Ni  Ni140  1  0.723759  0.334310  0.586684  1
  Ni  Ni141  1  0.957723  0.673146  0.558002  1
  Ni  Ni142  1  0.361381  0.949510  0.569905  1
  Ni  Ni143  1  0.243830  0.280090  0.584244  1
  Ni  Ni144  1  0.476871  0.618898  0.555712  1
  Ni  Ni145  1  0.932932  0.160682  0.622815  1
  Ni  Ni146  1  0.161991  0.499466  0.594396  1
  Ni  Ni147  1  0.048652  0.830203  0.608660  1
  Ni  Ni148  1  0.452298  0.106714  0.620517  1
  Ni  Ni149  1  0.681301  0.445455  0.592080  1
  Ni  Ni150  1  0.567387  0.776189  0.606325  1
  Ni  Ni151  1  0.491426  0.995491  0.615761  1
  Ni  Ni152  1  0.372043  0.326100  0.630147  1
  Ni  Ni153  1  0.605438  0.664817  0.601575  1
  Ni  Ni154  1  0.010388  0.941509  0.613449  1
  Ni  Ni155  1  0.892822  0.271957  0.627541  1
  Ni  Ni156  1  0.124077  0.610825  0.599183  1
  Ni  Ni157  1  0.586928  0.152646  0.666330  1
  Ni  Ni158  1  0.807926  0.491187  0.638210  1
  Ni  Ni159  1  0.697954  0.822203  0.652238  1
  Ni  Ni160  1  0.105642  0.098429  0.664102  1
  Ni  Ni161  1  0.325852  0.437074  0.635631  1
  Ni  Ni162  1  0.216190  0.767797  0.649885  1
  Ni  Ni163  1  0.142824  0.987583  0.659359  1
  Ni  Ni164  1  0.027300  0.317487  0.672986  1
  Ni  Ni165  1  0.252686  0.656780  0.645134  1
  Ni  Ni166  1  0.661106  0.933166  0.656992  1
  Ni  Ni167  1  0.549047  0.262998  0.670714  1
  Ni  Ni168  1  0.771052  0.602334  0.642830  1
  Ni  Ni169  1  0.250329  0.146415  0.708972  1
  Ni  Ni170  1  0.461437  0.483055  0.680610  1
  Ni  Ni171  1  0.356102  0.814415  0.694793  1
  Ni  Ni172  1  0.767471  0.090784  0.706608  1
  Ni  Ni173  1  0.978991  0.427639  0.678716  1
  Ni  Ni174  1  0.874026  0.759490  0.692415  1
  Ni  Ni175  1  0.802618  0.980036  0.701906  1
  Ni  Ni176  1  0.703587  0.310613  0.715138  1
  Ni  Ni177  1  0.909599  0.648732  0.687707  1
  Ni  Ni178  1  0.320362  0.925197  0.699540  1
  Ni  Ni179  1  0.217968  0.258063  0.713133  1
  Ni  Ni180  1  0.427198  0.593844  0.685308  1
