# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.33890543
_cell_length_b   8.36805701
_cell_length_c   48.57570453
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.88724418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr120 Ni60'
_cell_volume   8017.91496917
_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
  Zr  Zr1  1  0.423266  0.975728  0.368013  1
  Zr  Zr2  1  0.780423  0.350491  0.312435  1
  Zr  Zr3  1  0.103150  0.156727  0.338326  1
  Zr  Zr4  1  0.237964  0.875410  0.308209  1
  Zr  Zr5  1  0.554357  0.693394  0.335478  1
  Zr  Zr6  1  0.869585  0.503550  0.363140  1
  Zr  Zr7  1  0.271082  0.160520  0.340637  1
  Zr  Zr8  1  0.587831  0.974091  0.368268  1
  Zr  Zr9  1  0.949805  0.339622  0.313411  1
  Zr  Zr10  1  0.401716  0.876820  0.309035  1
  Zr  Zr11  1  0.717412  0.692632  0.336557  1
  Zr  Zr12  1  0.036275  0.500642  0.363257  1
  Zr  Zr13  1  0.263815  0.568221  0.354097  1
  Zr  Zr14  1  0.620002  0.955209  0.300198  1
  Zr  Zr15  1  0.943601  0.751003  0.324540  1
  Zr  Zr16  1  0.394742  0.285883  0.321407  1
  Zr  Zr17  1  0.709953  0.099133  0.350107  1
  Zr  Zr18  1  0.077558  0.466885  0.295869  1
  Zr  Zr19  1  0.429297  0.570095  0.354484  1
  Zr  Zr20  1  0.790019  0.937637  0.300497  1
  Zr  Zr21  1  0.111285  0.753231  0.327363  1
  Zr  Zr22  1  0.237887  0.472060  0.295593  1
  Zr  Zr23  1  0.557109  0.296537  0.322322  1
  Zr  Zr24  1  0.877389  0.094199  0.349608  1
  Zr  Zr25  1  0.378855  0.406719  0.451714  1
  Zr  Zr26  1  0.741182  0.784887  0.396308  1
  Zr  Zr27  1  0.059951  0.594173  0.423702  1
  Zr  Zr28  1  0.189033  0.314920  0.391387  1
  Zr  Zr29  1  0.508361  0.127932  0.419443  1
  Zr  Zr30  1  0.827537  0.935704  0.447128  1
  Zr  Zr31  1  0.226618  0.593844  0.423929  1
  Zr  Zr32  1  0.545433  0.405311  0.451983  1
  Zr  Zr33  1  0.907896  0.781448  0.395803  1
  Zr  Zr34  1  0.356217  0.314979  0.391590  1
  Zr  Zr35  1  0.674777  0.124683  0.419687  1
  Zr  Zr36  1  0.993969  0.933803  0.447133  1
  Zr  Zr37  1  0.219342  1.000528  0.437676  1
  Zr  Zr38  1  0.581864  0.382309  0.382231  1
  Zr  Zr39  1  0.900544  0.189362  0.409822  1
  Zr  Zr40  1  0.348559  0.722753  0.405481  1
  Zr  Zr41  1  0.667942  0.531501  0.433291  1
  Zr  Zr42  1  0.029192  0.908977  0.377010  1
  Zr  Zr43  1  0.386136  1.000095  0.437955  1
  Zr  Zr44  1  0.748051  0.377370  0.382102  1
  Zr  Zr45  1  0.067096  0.187382  0.409781  1
  Zr  Zr46  1  0.196042  0.909330  0.377329  1
  Zr  Zr47  1  0.515414  0.720609  0.405546  1
  Zr  Zr48  1  0.834556  0.528767  0.433334  1
  Zr  Zr49  1  0.335852  0.837365  0.535306  1
  Zr  Zr50  1  0.697898  0.216358  0.479556  1
  Zr  Zr51  1  0.016975  0.025552  0.507243  1
  Zr  Zr52  1  0.146290  0.746263  0.474917  1
  Zr  Zr53  1  0.465151  0.557949  0.502953  1
  Zr  Zr54  1  0.784126  0.367513  0.530562  1
  Zr  Zr55  1  0.183469  0.024514  0.507544  1
  Zr  Zr56  1  0.502259  0.836211  0.535535  1
  Zr  Zr57  1  0.864586  0.213865  0.479637  1
  Zr  Zr58  1  0.312794  0.745669  0.475231  1
  Zr  Zr59  1  0.631676  0.556086  0.503114  1
  Zr  Zr60  1  0.950798  0.364953  0.530822  1
  Zr  Zr61  1  0.176386  0.431122  0.521245  1
  Zr  Zr62  1  0.538383  0.811838  0.465654  1
  Zr  Zr63  1  0.857505  0.620706  0.493362  1
  Zr  Zr64  1  0.305712  0.152278  0.488932  1
  Zr  Zr65  1  0.624595  0.962927  0.516839  1
  Zr  Zr66  1  0.986922  0.340581  0.460941  1
  Zr  Zr67  1  0.342890  0.430529  0.521559  1
  Zr  Zr68  1  0.705055  0.809279  0.465914  1
  Zr  Zr69  1  0.024029  0.618843  0.493523  1
  Zr  Zr70  1  0.153328  0.339427  0.461170  1
  Zr  Zr71  1  0.472206  0.151240  0.489233  1
  Zr  Zr72  1  0.791282  0.960434  0.516920  1
  Zr  Zr73  1  0.293139  0.267461  0.619147  1
  Zr  Zr74  1  0.654624  0.648025  0.563142  1
  Zr  Zr75  1  0.973766  0.456182  0.590930  1
  Zr  Zr76  1  0.103044  0.176697  0.558521  1
  Zr  Zr77  1  0.422085  0.989409  0.586695  1
  Zr  Zr78  1  0.741129  0.799422  0.614375  1
  Zr  Zr79  1  0.140621  0.454039  0.590995  1
  Zr  Zr80  1  0.459989  0.267814  0.619466  1
  Zr  Zr81  1  0.821238  0.645291  0.563185  1
  Zr  Zr82  1  0.269839  0.176263  0.558800  1
  Zr  Zr83  1  0.588637  0.987430  0.586654  1
  Zr  Zr84  1  0.907317  0.794483  0.614245  1
  Zr  Zr85  1  0.132964  0.861813  0.604886  1
  Zr  Zr86  1  0.495211  0.242989  0.549343  1
  Zr  Zr87  1  0.814403  0.052109  0.576789  1
  Zr  Zr88  1  0.262562  0.582948  0.572547  1
  Zr  Zr89  1  0.581284  0.395344  0.600674  1
  Zr  Zr90  1  0.943748  0.771481  0.544493  1
  Zr  Zr91  1  0.300148  0.861872  0.605089  1
  Zr  Zr92  1  0.661643  0.241088  0.549348  1
  Zr  Zr93  1  0.980819  0.048860  0.577033  1
  Zr  Zr94  1  0.110326  0.770073  0.544762  1
  Zr  Zr95  1  0.429229  0.582619  0.572774  1
  Zr  Zr96  1  0.747999  0.391905  0.600168  1
  Zr  Zr97  1  0.251293  0.704732  0.700883  1
  Zr  Zr98  1  0.611791  0.082593  0.646868  1
  Zr  Zr99  1  0.932071  0.880255  0.674154  1
  Zr  Zr100  1  0.059884  0.606697  0.641992  1
  Zr  Zr101  1  0.377896  0.423561  0.669113  1
  Zr  Zr102  1  0.699162  0.239155  0.695979  1
  Zr  Zr103  1  0.094438  0.890909  0.675069  1
  Zr  Zr104  1  0.411623  0.709906  0.700607  1
  Zr  Zr105  1  0.779227  0.077658  0.646369  1
  Zr  Zr106  1  0.225365  0.608571  0.642379  1
  Zr  Zr107  1  0.545579  0.425788  0.671936  1
  Zr  Zr108  1  0.869179  0.221582  0.696278  1
  Zr  Zr109  1  0.087465  0.299972  0.687441  1
  Zr  Zr110  1  0.452905  0.676149  0.633219  1
  Zr  Zr111  1  0.771768  0.484159  0.659919  1
  Zr  Zr112  1  0.218098  0.016272  0.655839  1
  Zr  Zr113  1  0.539376  0.837170  0.683065  1
  Zr  Zr114  1  0.901349  0.202701  0.628208  1
  Zr  Zr115  1  0.251216  0.301382  0.688267  1
  Zr  Zr116  1  0.619596  0.673242  0.633336  1
  Zr  Zr117  1  0.934823  0.483398  0.660998  1
  Zr  Zr118  1  0.065914  0.201063  0.628463  1
  Zr  Zr119  1  0.386030  0.020065  0.658150  1
  Zr  Zr120  1  0.708758  0.826301  0.684041  1
  Ni  Ni121  1  0.183632  0.209860  0.298337  1
  Ni  Ni122  1  0.501072  0.027435  0.325191  1
  Ni  Ni123  1  0.820482  0.831917  0.352187  1
  Ni  Ni124  1  0.160960  0.426090  0.338642  1
  Ni  Ni125  1  0.479575  0.243828  0.365975  1
  Ni  Ni126  1  0.840074  0.614422  0.311935  1
  Ni  Ni127  1  0.342237  0.617211  0.311701  1
  Ni  Ni128  1  0.660345  0.428883  0.338491  1
  Ni  Ni129  1  0.979694  0.237040  0.365900  1
  Ni  Ni130  1  0.320992  0.835861  0.352035  1
  Ni  Ni131  1  0.680481  0.208646  0.298853  1
  Ni  Ni132  1  1.000396  0.019786  0.325708  1
  Ni  Ni133  1  0.138881  0.644083  0.380240  1
  Ni  Ni134  1  0.457677  0.456895  0.407932  1
  Ni  Ni135  1  0.776960  0.264915  0.435596  1
  Ni  Ni136  1  0.117331  0.859607  0.421562  1
  Ni  Ni137  1  0.436362  0.671620  0.449561  1
  Ni  Ni138  1  0.798898  0.048477  0.394174  1
  Ni  Ni139  1  0.298463  0.050807  0.394090  1
  Ni  Ni140  1  0.617332  0.860837  0.421849  1
  Ni  Ni141  1  0.936429  0.669711  0.449384  1
  Ni  Ni142  1  0.276881  0.265789  0.435528  1
  Ni  Ni143  1  0.639097  0.644956  0.380093  1
  Ni  Ni144  1  0.957898  0.453947  0.407765  1
  Ni  Ni145  1  0.095875  0.074875  0.463299  1
  Ni  Ni146  1  0.414802  0.886590  0.491343  1
  Ni  Ni147  1  0.733756  0.696206  0.519144  1
  Ni  Ni148  1  0.074379  0.290201  0.505133  1
  Ni  Ni149  1  0.393306  0.101917  0.533177  1
  Ni  Ni150  1  0.755425  0.480586  0.477332  1
  Ni  Ni151  1  0.255334  0.480755  0.477346  1
  Ni  Ni152  1  0.574180  0.291668  0.505291  1
  Ni  Ni153  1  0.893354  0.100620  0.532917  1
  Ni  Ni154  1  0.233847  0.696037  0.519130  1
  Ni  Ni155  1  0.595826  0.076171  0.463559  1
  Ni  Ni156  1  0.915000  0.885124  0.491185  1
  Ni  Ni157  1  0.052818  0.505172  0.546915  1
  Ni  Ni158  1  0.371850  0.317185  0.574914  1
  Ni  Ni159  1  0.690282  0.128315  0.602303  1
  Ni  Ni160  1  0.031504  0.719897  0.588544  1
  Ni  Ni161  1  0.350300  0.532709  0.616236  1
  Ni  Ni162  1  0.712221  0.911877  0.560880  1
  Ni  Ni163  1  0.212300  0.911003  0.560948  1
  Ni  Ni164  1  0.531283  0.722844  0.588711  1
  Ni  Ni165  1  0.850084  0.531835  0.616383  1
  Ni  Ni166  1  0.190717  0.125984  0.602386  1
  Ni  Ni167  1  0.552751  0.507080  0.547092  1
  Ni  Ni168  1  0.871848  0.315954  0.574627  1
  Ni  Ni169  1  0.009605  0.932964  0.630501  1
  Ni  Ni170  1  0.328221  0.750702  0.657834  1
  Ni  Ni171  1  0.649107  0.562370  0.684541  1
  Ni  Ni172  1  0.988108  0.149357  0.671285  1
  Ni  Ni173  1  0.305548  0.966932  0.698139  1
  Ni  Ni174  1  0.668699  0.344875  0.644289  1
  Ni  Ni175  1  0.168189  0.340931  0.644441  1
  Ni  Ni176  1  0.488785  0.157005  0.670768  1
  Ni  Ni177  1  0.808700  0.968146  0.697623  1
  Ni  Ni178  1  0.146944  0.559580  0.684775  1
  Ni  Ni179  1  0.509487  0.939752  0.630576  1
  Ni  Ni180  1  0.828836  0.747909  0.657985  1
