# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.32134886
_cell_length_b   8.30751133
_cell_length_c   51.14271739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.73832305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   5708.17686259
_cell_formula_units_Z   48
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  0.258827  0.571369  0.344722  1
  Zr  Zr2  1  0.803161  0.834559  0.304260  1
  Zr  Zr3  1  0.236342  0.876518  0.298920  1
  Zr  Zr4  1  0.683824  0.613617  0.337626  1
  Zr  Zr5  1  0.270821  0.156083  0.332374  1
  Zr  Zr6  1  0.816031  0.414261  0.293177  1
  Zr  Zr7  1  0.247968  0.458159  0.287958  1
  Zr  Zr8  1  0.699191  0.200994  0.325912  1
  Zr  Zr9  1  0.569343  0.484194  0.286099  1
  Zr  Zr10  1  0.030668  0.204394  0.325392  1
  Zr  Zr11  1  0.459419  0.250980  0.320393  1
  Zr  Zr12  1  0.008379  0.509074  0.280805  1
  Zr  Zr13  1  0.594430  0.062459  0.276105  1
  Zr  Zr14  1  0.047682  0.788751  0.313437  1
  Zr  Zr15  1  0.469163  0.849970  0.305890  1
  Zr  Zr16  1  0.018887  0.093467  0.270399  1
  Zr  Zr17  1  0.165846  0.026595  0.421493  1
  Zr  Zr18  1  0.711363  0.299381  0.383165  1
  Zr  Zr19  1  0.138569  0.343594  0.377087  1
  Zr  Zr20  1  0.593980  0.069036  0.415726  1
  Zr  Zr21  1  0.181051  0.614846  0.409400  1
  Zr  Zr22  1  0.726731  0.885609  0.370420  1
  Zr  Zr23  1  0.154143  0.929475  0.364164  1
  Zr  Zr24  1  0.608579  0.657919  0.402961  1
  Zr  Zr25  1  0.484750  0.935464  0.364089  1
  Zr  Zr26  1  0.938367  0.662372  0.402193  1
  Zr  Zr27  1  0.366557  0.706532  0.396127  1
  Zr  Zr28  1  0.910950  0.977127  0.357400  1
  Zr  Zr29  1  0.499539  0.526815  0.350940  1
  Zr  Zr30  1  0.953417  0.250171  0.389696  1
  Zr  Zr31  1  0.380979  0.294856  0.383918  1
  Zr  Zr32  1  0.925147  0.566337  0.344313  1
  Zr  Zr33  1  0.074432  0.480684  0.498718  1
  Zr  Zr34  1  0.620194  0.753149  0.460224  1
  Zr  Zr35  1  0.047618  0.796994  0.454036  1
  Zr  Zr36  1  0.502076  0.524061  0.492639  1
  Zr  Zr37  1  0.089201  0.068929  0.486222  1
  Zr  Zr38  1  0.634959  0.341841  0.447759  1
  Zr  Zr39  1  0.062395  0.385299  0.441561  1
  Zr  Zr40  1  0.516883  0.112254  0.480206  1
  Zr  Zr41  1  0.393151  0.389869  0.441033  1
  Zr  Zr42  1  0.847344  0.116939  0.479427  1
  Zr  Zr43  1  0.274885  0.160549  0.473359  1
  Zr  Zr44  1  0.820871  0.432844  0.434763  1
  Zr  Zr45  1  0.407784  0.978066  0.428554  1
  Zr  Zr46  1  0.862086  0.705293  0.466986  1
  Zr  Zr47  1  0.289607  0.749022  0.460886  1
  Zr  Zr48  1  0.835345  0.021362  0.422191  1
  Zr  Zr49  1  0.983045  0.935486  0.575988  1
  Zr  Zr50  1  0.528679  0.207599  0.537353  1
  Zr  Zr51  1  0.956394  0.251225  0.531107  1
  Zr  Zr52  1  0.410473  0.978086  0.569739  1
  Zr  Zr53  1  0.997799  0.523415  0.563306  1
  Zr  Zr54  1  0.543447  0.796125  0.524872  1
  Zr  Zr55  1  0.971167  0.839637  0.518741  1
  Zr  Zr56  1  0.425218  0.566593  0.557291  1
  Zr  Zr57  1  0.301537  0.844224  0.518048  1
  Zr  Zr58  1  0.755908  0.571655  0.556480  1
  Zr  Zr59  1  0.183628  0.614514  0.550490  1
  Zr  Zr60  1  0.729255  0.887770  0.511922  1
  Zr  Zr61  1  0.316337  0.432500  0.505621  1
  Zr  Zr62  1  0.770665  0.159864  0.544133  1
  Zr  Zr63  1  0.198323  0.203230  0.538036  1
  Zr  Zr64  1  0.744052  0.475849  0.499408  1
  Zr  Zr65  1  0.893507  0.389144  0.654013  1
  Zr  Zr66  1  0.437433  0.661382  0.614519  1
  Zr  Zr67  1  0.865472  0.705965  0.608212  1
  Zr  Zr68  1  0.319108  0.430951  0.647481  1
  Zr  Zr69  1  0.906943  0.980675  0.640890  1
  Zr  Zr70  1  0.451924  0.249336  0.602028  1
  Zr  Zr71  1  0.879864  0.294862  0.595772  1
  Zr  Zr72  1  0.333253  0.020009  0.634345  1
  Zr  Zr73  1  0.210040  0.298096  0.595422  1
  Zr  Zr74  1  0.664891  0.027302  0.634012  1
  Zr  Zr75  1  0.090989  0.071383  0.627757  1
  Zr  Zr76  1  0.637349  0.342111  0.588891  1
  Zr  Zr77  1  0.224496  0.887056  0.582657  1
  Zr  Zr78  1  0.680361  0.614162  0.620848  1
  Zr  Zr79  1  0.107009  0.656725  0.614788  1
  Zr  Zr80  1  0.652612  0.930385  0.576671  1
  Zr  Zr81  1  0.805240  0.866910  0.726639  1
  Zr  Zr82  1  0.350641  0.107253  0.692703  1
  Zr  Zr83  1  0.770786  0.171032  0.685061  1
  Zr  Zr84  1  0.217536  0.898004  0.721254  1
  Zr  Zr85  1  0.807142  0.458189  0.716871  1
  Zr  Zr86  1  0.359694  0.706174  0.678392  1
  Zr  Zr87  1  0.788714  0.753867  0.672510  1
  Zr  Zr88  1  0.252217  0.478186  0.711561  1
  Zr  Zr89  1  0.119059  0.757511  0.672262  1
  Zr  Zr90  1  0.567994  0.501775  0.709964  1
  Zr  Zr91  1  1.003985  0.543993  0.705050  1
  Zr  Zr92  1  0.546687  0.800432  0.665665  1
  Zr  Zr93  1  0.134769  0.342214  0.660696  1
  Zr  Zr94  1  0.584038  0.081322  0.699282  1
  Zr  Zr95  1  0.011192  0.124609  0.695594  1
  Zr  Zr96  1  0.560016  0.385683  0.653615  1
  Ni  Ni97  1  0.387077  0.591711  0.306742  1
  Ni  Ni98  1  0.931388  0.861323  0.270606  1
  Ni  Ni99  1  0.432074  0.357919  0.270925  1
  Ni  Ni100  1  0.886317  0.086895  0.307563  1
  Ni  Ni101  1  0.159057  0.220777  0.289061  1
  Ni  Ni102  1  0.615507  0.955615  0.326296  1
  Ni  Ni103  1  0.116907  0.454713  0.326339  1
  Ni  Ni104  1  0.656372  0.728260  0.288814  1
  Ni  Ni105  1  0.296057  0.047750  0.383579  1
  Ni  Ni106  1  0.840644  0.320287  0.345434  1
  Ni  Ni107  1  0.342837  0.821828  0.344680  1
  Ni  Ni108  1  0.796320  0.547696  0.383742  1
  Ni  Ni109  1  0.068977  0.683143  0.365199  1
  Ni  Ni110  1  0.523144  0.411835  0.402887  1
  Ni  Ni111  1  0.023231  0.911356  0.402822  1
  Ni  Ni112  1  0.570030  0.183455  0.365270  1
  Ni  Ni113  1  0.204983  0.501066  0.460678  1
  Ni  Ni114  1  0.750720  0.774051  0.422172  1
  Ni  Ni115  1  0.250604  0.274355  0.422104  1
  Ni  Ni116  1  0.705072  1.001151  0.460691  1
  Ni  Ni117  1  0.977826  0.137632  0.441241  1
  Ni  Ni118  1  0.432065  0.864664  0.479871  1
  Ni  Ni119  1  0.932077  0.364676  0.479800  1
  Ni  Ni120  1  0.477613  0.637988  0.441312  1
  Ni  Ni121  1  0.113505  0.955222  0.537529  1
  Ni  Ni122  1  0.659262  0.228289  0.499137  1
  Ni  Ni123  1  0.159155  0.728307  0.499097  1
  Ni  Ni124  1  0.613313  0.455585  0.537552  1
  Ni  Ni125  1  0.886393  0.591999  0.518285  1
  Ni  Ni126  1  0.340714  0.318458  0.556969  1
  Ni  Ni127  1  0.840620  0.819304  0.556841  1
  Ni  Ni128  1  0.386296  0.091887  0.518373  1
  Ni  Ni129  1  0.022046  0.408010  0.614428  1
  Ni  Ni130  1  0.567630  0.682383  0.576096  1
  Ni  Ni131  1  0.067850  0.182303  0.575950  1
  Ni  Ni132  1  0.522148  0.909124  0.614609  1
  Ni  Ni133  1  0.795214  0.045871  0.595347  1
  Ni  Ni134  1  0.248516  0.772903  0.633406  1
  Ni  Ni135  1  0.749702  0.274254  0.633204  1
  Ni  Ni136  1  0.295545  0.544369  0.595519  1
  Ni  Ni137  1  0.933093  0.869363  0.689694  1
  Ni  Ni138  1  0.475771  0.134938  0.653457  1
  Ni  Ni139  1  0.978441  0.635506  0.652543  1
  Ni  Ni140  1  0.432742  0.363823  0.690869  1
  Ni  Ni141  1  0.700787  0.504015  0.671895  1
  Ni  Ni142  1  0.163236  0.231574  0.709485  1
  Ni  Ni143  1  0.659698  0.740108  0.708999  1
  Ni  Ni144  1  0.201957  0.002901  0.672142  1
