# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75034409
_cell_length_b   23.01953755
_cell_length_c   49.38365343
_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   4263.34940243
_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  1.003327  0.528052  0.289864  1
  Cr  Cr2  1  1.003327  0.863827  0.274013  1
  Cr  Cr3  1  1.003327  0.184077  0.308863  1
  Cr  Cr4  1  0.503327  0.694867  0.281986  1
  Cr  Cr5  1  0.503327  0.014758  0.316917  1
  Cr  Cr6  1  0.503327  0.353914  0.298961  1
  Cr  Cr7  1  1.003327  0.502718  0.341096  1
  Cr  Cr8  1  1.003327  0.844419  0.325522  1
  Cr  Cr9  1  1.003327  0.160836  0.359017  1
  Cr  Cr10  1  0.503327  0.673774  0.333740  1
  Cr  Cr11  1  0.503327  0.990272  0.367145  1
  Cr  Cr12  1  0.503327  0.331509  0.349720  1
  Cr  Cr13  1  1.003327  0.478282  0.391504  1
  Cr  Cr14  1  1.003327  0.819787  0.375466  1
  Cr  Cr15  1  1.003327  0.136917  0.408962  1
  Cr  Cr16  1  0.503327  0.648918  0.383567  1
  Cr  Cr17  1  0.503327  0.966229  0.417255  1
  Cr  Cr18  1  0.503327  0.307717  0.400126  1
  Cr  Cr19  1  1.003327  0.454301  0.441686  1
  Cr  Cr20  1  1.003327  0.795632  0.425444  1
  Cr  Cr21  1  1.003327  0.112924  0.458956  1
  Cr  Cr22  1  0.503327  0.624898  0.433516  1
  Cr  Cr23  1  0.503327  0.942250  0.467285  1
  Cr  Cr24  1  0.503327  0.283684  0.450291  1
  Cr  Cr25  1  1.003327  0.430318  0.491773  1
  Cr  Cr26  1  1.003327  0.771642  0.475432  1
  Cr  Cr27  1  1.003327  0.088917  0.509013  1
  Cr  Cr28  1  0.503327  0.600988  0.483509  1
  Cr  Cr29  1  0.503327  0.918303  0.517324  1
  Cr  Cr30  1  0.503327  0.259604  0.500393  1
  Cr  Cr31  1  1.003327  0.406303  0.541795  1
  Cr  Cr32  1  1.003327  0.747706  0.525434  1
  Cr  Cr33  1  1.003327  0.064947  0.559134  1
  Cr  Cr34  1  0.503327  0.577067  0.533486  1
  Cr  Cr35  1  0.503327  0.894348  0.567371  1
  Cr  Cr36  1  0.503327  0.235534  0.550502  1
  Cr  Cr37  1  1.003327  0.382304  0.591770  1
  Cr  Cr38  1  1.003327  0.723706  0.575446  1
  Cr  Cr39  1  1.003327  0.041002  0.609336  1
  Cr  Cr40  1  0.503327  0.553099  0.583418  1
  Cr  Cr41  1  0.503327  0.870237  0.617365  1
  Cr  Cr42  1  0.503327  0.211554  0.600690  1
  Cr  Cr43  1  1.003327  0.358474  0.641761  1
  Cr  Cr44  1  1.003327  0.699437  0.625541  1
  Cr  Cr45  1  1.003327  0.016634  0.659731  1
  Cr  Cr46  1  0.503327  0.528976  0.633345  1
  Cr  Cr47  1  0.503327  0.845276  0.667180  1
  Cr  Cr48  1  0.503327  0.187910  0.651125  1
  Cr  Cr49  1  1.003327  0.335863  0.691972  1
  Cr  Cr50  1  1.003327  0.674341  0.675766  1
  Cr  Cr51  1  1.003327  0.991380  0.710945  1
  Cr  Cr52  1  0.503327  0.504593  0.683585  1
  Cr  Cr53  1  0.503327  0.824891  0.718691  1
  Cr  Cr54  1  0.503327  0.165667  0.701870  1
  Ni  Ni55  1  0.503327  0.801210  0.295816  1
  Ni  Ni56  1  0.503327  0.136451  0.279544  1
  Ni  Ni57  1  0.503327  0.461131  0.311435  1
  Ni  Ni58  1  1.003327  0.740063  0.314418  1
  Ni  Ni59  1  1.003327  0.078607  0.298700  1
  Ni  Ni60  1  1.003327  0.420340  0.282043  1
  Ni  Ni61  1  1.003327  0.632297  0.304128  1
  Ni  Ni62  1  1.003327  0.972700  0.286899  1
  Ni  Ni63  1  1.003327  0.289088  0.319790  1
  Ni  Ni64  1  0.503327  0.569275  0.322234  1
  Ni  Ni65  1  0.503327  0.909780  0.306216  1
  Ni  Ni66  1  0.503327  0.247250  0.289918  1
  Ni  Ni67  1  0.503327  0.777438  0.345026  1
  Ni  Ni68  1  0.503327  0.118864  0.329335  1
  Ni  Ni69  1  0.503327  0.435713  0.360706  1
  Ni  Ni70  1  1.003327  0.715540  0.364360  1
  Ni  Ni71  1  1.003327  0.056408  0.348108  1
  Ni  Ni72  1  1.003327  0.397881  0.330869  1
  Ni  Ni73  1  1.003327  0.606441  0.353085  1
  Ni  Ni74  1  1.003327  0.948162  0.336400  1
  Ni  Ni75  1  1.003327  0.265200  0.369597  1
  Ni  Ni76  1  0.503327  0.544629  0.372263  1
  Ni  Ni77  1  0.503327  0.886257  0.356122  1
  Ni  Ni78  1  0.503327  0.226844  0.339728  1
  Ni  Ni79  1  0.503327  0.753189  0.394732  1
  Ni  Ni80  1  0.503327  0.094271  0.378480  1
  Ni  Ni81  1  0.503327  0.411923  0.410883  1
  Ni  Ni82  1  1.003327  0.691359  0.414365  1
  Ni  Ni83  1  1.003327  0.032579  0.398066  1
  Ni  Ni84  1  1.003327  0.374049  0.380665  1
  Ni  Ni85  1  1.003327  0.582373  0.402716  1
  Ni  Ni86  1  1.003327  0.923973  0.386444  1
  Ni  Ni87  1  1.003327  0.241267  0.419694  1
  Ni  Ni88  1  0.503327  0.520665  0.422406  1
  Ni  Ni89  1  0.503327  0.862075  0.406205  1
  Ni  Ni90  1  0.503327  0.203377  0.389571  1
  Ni  Ni91  1  0.503327  0.729160  0.444627  1
  Ni  Ni92  1  0.503327  0.070429  0.428300  1
  Ni  Ni93  1  0.503327  0.387932  0.461052  1
  Ni  Ni94  1  1.003327  0.667387  0.464352  1
  Ni  Ni95  1  1.003327  0.008638  0.448058  1
  Ni  Ni96  1  1.003327  0.350106  0.430814  1
  Ni  Ni97  1  1.003327  0.558509  0.452691  1
  Ni  Ni98  1  1.003327  0.899860  0.436473  1
  Ni  Ni99  1  1.003327  0.217206  0.469767  1
  Ni  Ni100  1  0.503327  0.496743  0.472471  1
  Ni  Ni101  1  0.503327  0.838035  0.456244  1
  Ni  Ni102  1  0.503327  0.179388  0.439571  1
  Ni  Ni103  1  0.503327  0.705242  0.494590  1
  Ni  Ni104  1  0.503327  0.046478  0.478284  1
  Ni  Ni105  1  0.503327  0.363880  0.511150  1
  Ni  Ni106  1  1.003327  0.643472  0.514331  1
  Ni  Ni107  1  1.003327  0.984680  0.498088  1
  Ni  Ni108  1  1.003327  0.326069  0.480932  1
  Ni  Ni109  1  1.003327  0.534593  0.502700  1
  Ni  Ni110  1  1.003327  0.875872  0.486494  1
  Ni  Ni111  1  1.003327  0.193147  0.519857  1
  Ni  Ni112  1  0.503327  0.472789  0.522472  1
  Ni  Ni113  1  0.503327  0.814083  0.506269  1
  Ni  Ni114  1  0.503327  0.155335  0.489632  1
  Ni  Ni115  1  0.503327  0.681319  0.544576  1
  Ni  Ni116  1  0.503327  0.022519  0.528336  1
  Ni  Ni117  1  0.503327  0.339827  0.561200  1
  Ni  Ni118  1  1.003327  0.619534  0.564275  1
  Ni  Ni119  1  1.003327  0.960755  0.548143  1
  Ni  Ni120  1  1.003327  0.302000  0.531014  1
  Ni  Ni121  1  1.003327  0.510636  0.552671  1
  Ni  Ni122  1  1.003327  0.851921  0.536528  1
  Ni  Ni123  1  1.003327  0.169136  0.569992  1
  Ni  Ni124  1  0.503327  0.448817  0.572396  1
  Ni  Ni125  1  0.503327  0.790122  0.556286  1
  Ni  Ni126  1  0.503327  0.131295  0.539752  1
  Ni  Ni127  1  0.503327  0.657309  0.594577  1
  Ni  Ni128  1  0.503327  0.998585  0.578436  1
  Ni  Ni129  1  0.503327  0.315888  0.611209  1
  Ni  Ni130  1  1.003327  0.595522  0.614098  1
  Ni  Ni131  1  1.003327  0.936879  0.598146  1
  Ni  Ni132  1  1.003327  0.277952  0.581099  1
  Ni  Ni133  1  1.003327  0.486674  0.602596  1
  Ni  Ni134  1  1.003327  0.827880  0.586578  1
  Ni  Ni135  1  1.003327  0.145269  0.620157  1
  Ni  Ni136  1  0.503327  0.424933  0.622186  1
  Ni  Ni137  1  0.503327  0.765963  0.606288  1
  Ni  Ni138  1  0.503327  0.107349  0.589944  1
  Ni  Ni139  1  0.503327  0.633088  0.644618  1
  Ni  Ni140  1  0.503327  0.974614  0.628583  1
  Ni  Ni141  1  0.503327  0.292620  0.661079  1
  Ni  Ni142  1  1.003327  0.570419  0.663322  1
  Ni  Ni143  1  1.003327  0.912803  0.647768  1
  Ni  Ni144  1  1.003327  0.254135  0.631233  1
  Ni  Ni145  1  1.003327  0.462766  0.652517  1
  Ni  Ni146  1  1.003327  0.803509  0.636637  1
  Ni  Ni147  1  1.003327  0.121562  0.669959  1
  Ni  Ni148  1  0.503327  0.400608  0.671377  1
  Ni  Ni149  1  0.503327  0.741411  0.656263  1
  Ni  Ni150  1  0.503327  0.083658  0.640135  1
  Ni  Ni151  1  0.503327  0.609823  0.694148  1
  Ni  Ni152  1  0.503327  0.950042  0.678571  1
  Ni  Ni153  1  0.503327  0.272591  0.710877  1
  Ni  Ni154  1  1.003327  0.550214  0.713203  1
  Ni  Ni155  1  1.003327  0.887124  0.696682  1
  Ni  Ni156  1  1.003327  0.230572  0.681073  1
  Ni  Ni157  1  1.003327  0.442172  0.702086  1
  Ni  Ni158  1  1.003327  0.779216  0.686441  1
  Ni  Ni159  1  1.003327  0.099110  0.718773  1
  Ni  Ni160  1  0.503327  0.383808  0.721120  1
  Ni  Ni161  1  0.503327  0.716183  0.705668  1
  Ni  Ni162  1  0.503327  0.058296  0.689393  1
