# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.22008273
_cell_length_b   8.30902425
_cell_length_c   48.49791775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.82544009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr120 Ni60'
_cell_volume   7900.01885536
_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  0.268295  0.547659  0.351213  1
  Zr  Zr2  1  0.622141  0.935224  0.296715  1
  Zr  Zr3  1  0.947664  0.731539  0.320354  1
  Zr  Zr4  1  0.244253  0.854727  0.304682  1
  Zr  Zr5  1  0.560960  0.670994  0.332229  1
  Zr  Zr6  1  0.875352  0.481471  0.360209  1
  Zr  Zr7  1  0.276586  0.138051  0.337876  1
  Zr  Zr8  1  0.592164  0.951424  0.365411  1
  Zr  Zr9  1  0.952947  0.315919  0.310042  1
  Zr  Zr10  1  0.243586  0.446739  0.292935  1
  Zr  Zr11  1  0.560879  0.277526  0.319488  1
  Zr  Zr12  1  0.882280  0.071738  0.346560  1
  Zr  Zr13  1  0.427861  0.954586  0.365201  1
  Zr  Zr14  1  0.783707  0.330851  0.308792  1
  Zr  Zr15  1  0.107000  0.136812  0.335116  1
  Zr  Zr16  1  0.401137  0.263531  0.317819  1
  Zr  Zr17  1  0.714795  0.077140  0.347448  1
  Zr  Zr18  1  0.082449  0.448901  0.292417  1
  Zr  Zr19  1  0.433806  0.547825  0.351903  1
  Zr  Zr20  1  0.792230  0.914290  0.297529  1
  Zr  Zr21  1  0.115831  0.732985  0.324239  1
  Zr  Zr22  1  0.409431  0.847740  0.306269  1
  Zr  Zr23  1  0.722318  0.670965  0.333870  1
  Zr  Zr24  1  0.040995  0.480014  0.360019  1
  Zr  Zr25  1  0.223929  0.975466  0.434652  1
  Zr  Zr26  1  0.586472  0.360785  0.379460  1
  Zr  Zr27  1  0.905390  0.166242  0.406847  1
  Zr  Zr28  1  0.194335  0.291955  0.388581  1
  Zr  Zr29  1  0.514143  0.103762  0.416645  1
  Zr  Zr30  1  0.833519  0.909028  0.444319  1
  Zr  Zr31  1  0.231307  0.568574  0.421129  1
  Zr  Zr32  1  0.550203  0.378435  0.449252  1
  Zr  Zr33  1  0.912758  0.757685  0.392963  1
  Zr  Zr34  1  0.201134  0.887439  0.374244  1
  Zr  Zr35  1  0.520835  0.696097  0.402734  1
  Zr  Zr36  1  0.840302  0.502277  0.430577  1
  Zr  Zr37  1  0.383637  0.380560  0.448769  1
  Zr  Zr38  1  0.746105  0.762104  0.393500  1
  Zr  Zr39  1  0.064644  0.569878  0.420690  1
  Zr  Zr40  1  0.353801  0.699700  0.402770  1
  Zr  Zr41  1  0.673905  0.505713  0.430376  1
  Zr  Zr42  1  0.034598  0.886399  0.374101  1
  Zr  Zr43  1  0.391003  0.974081  0.435227  1
  Zr  Zr44  1  0.753138  0.353566  0.379162  1
  Zr  Zr45  1  0.071631  0.163338  0.406854  1
  Zr  Zr46  1  0.361457  0.291365  0.388809  1
  Zr  Zr47  1  0.680457  0.098859  0.416933  1
  Zr  Zr48  1  0.999642  0.906517  0.444346  1
  Zr  Zr49  1  0.181481  0.399489  0.518246  1
  Zr  Zr50  1  0.543294  0.784427  0.462658  1
  Zr  Zr51  1  0.862361  0.591353  0.490385  1
  Zr  Zr52  1  0.152158  0.717644  0.472045  1
  Zr  Zr53  1  0.471081  0.527341  0.500107  1
  Zr  Zr54  1  0.790160  0.334896  0.527664  1
  Zr  Zr55  1  0.188309  0.993333  0.504744  1
  Zr  Zr56  1  0.507113  0.803050  0.532750  1
  Zr  Zr57  1  0.869379  0.184757  0.476855  1
  Zr  Zr58  1  0.158960  0.311147  0.458460  1
  Zr  Zr59  1  0.478082  0.120787  0.486604  1
  Zr  Zr60  1  0.797159  0.927999  0.514274  1
  Zr  Zr61  1  0.340999  0.804803  0.532377  1
  Zr  Zr62  1  0.702800  0.187952  0.476564  1
  Zr  Zr63  1  0.021877  0.995163  0.504233  1
  Zr  Zr64  1  0.311650  0.122618  0.486093  1
  Zr  Zr65  1  0.630580  0.931193  0.513982  1
  Zr  Zr66  1  0.992846  0.312901  0.458087  1
  Zr  Zr67  1  0.347801  0.398306  0.518792  1
  Zr  Zr68  1  0.709799  0.781054  0.463173  1
  Zr  Zr69  1  0.028878  0.588609  0.490730  1
  Zr  Zr70  1  0.318478  0.716462  0.472591  1
  Zr  Zr71  1  0.637598  0.524598  0.500452  1
  Zr  Zr72  1  0.956665  0.331524  0.528179  1
  Zr  Zr73  1  0.138502  0.824586  0.602028  1
  Zr  Zr74  1  0.500317  0.209434  0.546491  1
  Zr  Zr75  1  0.819502  0.017092  0.573904  1
  Zr  Zr76  1  0.108956  0.141869  0.555610  1
  Zr  Zr77  1  0.428328  0.952612  0.583983  1
  Zr  Zr78  1  0.746821  0.762384  0.611675  1
  Zr  Zr79  1  0.146158  0.416250  0.588067  1
  Zr  Zr80  1  0.465361  0.229551  0.616736  1
  Zr  Zr81  1  0.826054  0.610237  0.560461  1
  Zr  Zr82  1  0.116322  0.735391  0.542068  1
  Zr  Zr83  1  0.435315  0.546073  0.570147  1
  Zr  Zr84  1  0.753854  0.353847  0.597337  1
  Zr  Zr85  1  0.298825  0.228511  0.616593  1
  Zr  Zr86  1  0.659657  0.613674  0.560260  1
  Zr  Zr87  1  0.979124  0.419853  0.588103  1
  Zr  Zr88  1  0.268652  0.547376  0.569709  1
  Zr  Zr89  1  0.587201  0.358266  0.597874  1
  Zr  Zr90  1  0.949756  0.737516  0.541585  1
  Zr  Zr91  1  0.305624  0.823995  0.602256  1
  Zr  Zr92  1  0.666440  0.206922  0.546518  1
  Zr  Zr93  1  0.985816  0.012189  0.574193  1
  Zr  Zr94  1  0.276030  0.140484  0.556185  1
  Zr  Zr95  1  0.594569  0.949709  0.583990  1
  Zr  Zr96  1  0.913487  0.755165  0.611377  1
  Zr  Zr97  1  0.090528  0.268211  0.684568  1
  Zr  Zr98  1  0.458964  0.635936  0.630818  1
  Zr  Zr99  1  0.777641  0.444985  0.656967  1
  Zr  Zr100  1  0.066153  0.568125  0.638934  1
  Zr  Zr101  1  0.384127  0.382965  0.666598  1
  Zr  Zr102  1  0.707729  0.201661  0.693308  1
  Zr  Zr103  1  0.098822  0.852419  0.673018  1
  Zr  Zr104  1  0.417510  0.667049  0.698420  1
  Zr  Zr105  1  0.785164  0.038811  0.643389  1
  Zr  Zr106  1  0.072098  0.161364  0.625636  1
  Zr  Zr107  1  0.392959  0.979138  0.655721  1
  Zr  Zr108  1  0.716252  0.785100  0.682045  1
  Zr  Zr109  1  0.256373  0.669212  0.697902  1
  Zr  Zr110  1  0.617679  0.044212  0.644277  1
  Zr  Zr111  1  0.939080  0.838425  0.671349  1
  Zr  Zr112  1  0.223373  0.977899  0.652961  1
  Zr  Zr113  1  0.547012  0.800031  0.680795  1
  Zr  Zr114  1  0.907795  0.164526  0.625426  1
  Zr  Zr115  1  0.255706  0.261224  0.686155  1
  Zr  Zr116  1  0.624607  0.634479  0.630628  1
  Zr  Zr117  1  0.938999  0.444956  0.658608  1
  Zr  Zr118  1  0.231664  0.568292  0.639624  1
  Zr  Zr119  1  0.552295  0.384411  0.670483  1
  Zr  Zr120  1  0.877818  0.180726  0.694122  1
  Ni  Ni121  1  0.347361  0.594089  0.309463  1
  Ni  Ni122  1  0.665110  0.407695  0.336164  1
  Ni  Ni123  1  0.984619  0.216885  0.363453  1
  Ni  Ni124  1  0.325959  0.815836  0.349596  1
  Ni  Ni125  1  0.683508  0.188493  0.296780  1
  Ni  Ni126  1  1.004806  0.999351  0.323476  1
  Ni  Ni127  1  0.187568  0.187496  0.296329  1
  Ni  Ni128  1  0.505493  0.005425  0.322986  1
  Ni  Ni129  1  0.825903  0.810789  0.349862  1
  Ni  Ni130  1  0.165395  0.406210  0.336547  1
  Ni  Ni131  1  0.484271  0.223700  0.363489  1
  Ni  Ni132  1  0.844094  0.592558  0.309675  1
  Ni  Ni133  1  0.303264  0.029059  0.391758  1
  Ni  Ni134  1  0.622424  0.836153  0.419162  1
  Ni  Ni135  1  0.941712  0.643316  0.446812  1
  Ni  Ni136  1  0.282078  0.240537  0.432995  1
  Ni  Ni137  1  0.644371  0.622556  0.377561  1
  Ni  Ni138  1  0.963252  0.431430  0.405301  1
  Ni  Ni139  1  0.143819  0.623646  0.377988  1
  Ni  Ni140  1  0.462412  0.433919  0.405418  1
  Ni  Ni141  1  0.782202  0.239521  0.432886  1
  Ni  Ni142  1  0.122550  0.835706  0.419027  1
  Ni  Ni143  1  0.441516  0.645292  0.446857  1
  Ni  Ni144  1  0.804725  0.025383  0.391805  1
  Ni  Ni145  1  0.260714  0.451974  0.474601  1
  Ni  Ni146  1  0.579645  0.260474  0.502407  1
  Ni  Ni147  1  0.898847  0.067527  0.530091  1
  Ni  Ni148  1  0.239244  0.663976  0.516236  1
  Ni  Ni149  1  0.601112  0.048423  0.460746  1
  Ni  Ni150  1  0.920314  0.855477  0.488430  1
  Ni  Ni151  1  0.101156  0.047265  0.460594  1
  Ni  Ni152  1  0.420258  0.856646  0.488529  1
  Ni  Ni153  1  0.739268  0.664106  0.516314  1
  Ni  Ni154  1  0.079701  0.259304  0.502308  1
  Ni  Ni155  1  0.398803  0.068685  0.530244  1
  Ni  Ni156  1  0.760691  0.451844  0.474524  1
  Ni  Ni157  1  0.217880  0.875413  0.557842  1
  Ni  Ni158  1  0.536707  0.684520  0.585536  1
  Ni  Ni159  1  0.855588  0.493394  0.613276  1
  Ni  Ni160  1  0.196695  0.086891  0.599079  1
  Ni  Ni161  1  0.558247  0.472635  0.544026  1
  Ni  Ni162  1  0.877535  0.279797  0.571675  1
  Ni  Ni163  1  0.058443  0.470658  0.543980  1
  Ni  Ni164  1  0.377409  0.280244  0.571810  1
  Ni  Ni165  1  0.695234  0.090567  0.599032  1
  Ni  Ni166  1  0.037547  0.682031  0.585419  1
  Ni  Ni167  1  0.356140  0.492304  0.612849  1
  Ni  Ni168  1  0.717757  0.876429  0.557951  1
  Ni  Ni169  1  0.174000  0.300115  0.641241  1
  Ni  Ni170  1  0.495153  0.116599  0.667361  1
  Ni  Ni171  1  0.816451  0.927457  0.694057  1
  Ni  Ni172  1  0.152598  0.521862  0.681374  1
  Ni  Ni173  1  0.515340  0.899066  0.627385  1
  Ni  Ni174  1  0.834849  0.708255  0.654673  1
  Ni  Ni175  1  0.015688  0.892251  0.627348  1
  Ni  Ni176  1  0.334564  0.709741  0.654290  1
  Ni  Ni177  1  0.655864  0.523393  0.681162  1
  Ni  Ni178  1  0.994466  0.110525  0.667851  1
  Ni  Ni179  1  0.312391  0.928454  0.694508  1
  Ni  Ni180  1  0.674056  0.305161  0.640975  1
