# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.40695742
_cell_length_b   8.36140388
_cell_length_c   51.25599796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.82864191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   5795.71515225
_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  0.564107  0.501708  0.289338  1
  Zr  Zr2  1  0.023808  0.225428  0.327975  1
  Zr  Zr3  1  0.225927  0.900446  0.302156  1
  Zr  Zr4  1  0.675384  0.637404  0.340254  1
  Zr  Zr5  1  0.264108  0.180075  0.334707  1
  Zr  Zr6  1  0.810501  0.439847  0.296312  1
  Zr  Zr7  1  0.462383  0.867979  0.308608  1
  Zr  Zr8  1  0.008184  0.121274  0.272636  1
  Zr  Zr9  1  0.251255  0.592872  0.347167  1
  Zr  Zr10  1  0.797558  0.856554  0.307054  1
  Zr  Zr11  1  0.450277  0.272971  0.322417  1
  Zr  Zr12  1  1.000314  0.530218  0.283769  1
  Zr  Zr13  1  0.588047  0.082972  0.278801  1
  Zr  Zr14  1  0.039997  0.811815  0.315844  1
  Zr  Zr15  1  0.239705  0.485412  0.290079  1
  Zr  Zr16  1  0.691466  0.224092  0.328358  1
  Zr  Zr17  1  0.477123  0.959069  0.366517  1
  Zr  Zr18  1  0.930725  0.688378  0.404850  1
  Zr  Zr19  1  0.129870  0.368022  0.379462  1
  Zr  Zr20  1  0.584415  0.097223  0.418023  1
  Zr  Zr21  1  0.173233  0.641928  0.411694  1
  Zr  Zr22  1  0.719220  0.911210  0.372820  1
  Zr  Zr23  1  0.372302  0.320964  0.386202  1
  Zr  Zr24  1  0.917230  0.589731  0.347097  1
  Zr  Zr25  1  0.157915  0.053822  0.424182  1
  Zr  Zr26  1  0.703732  0.324032  0.385690  1
  Zr  Zr27  1  0.357317  0.732831  0.398623  1
  Zr  Zr28  1  0.902457  1.001648  0.359825  1
  Zr  Zr29  1  0.491847  0.549430  0.353510  1
  Zr  Zr30  1  0.945921  0.276218  0.392239  1
  Zr  Zr31  1  0.145551  0.954378  0.366745  1
  Zr  Zr32  1  0.599449  0.685865  0.405249  1
  Zr  Zr33  1  0.385010  0.418900  0.443563  1
  Zr  Zr34  1  0.838904  0.148821  0.481997  1
  Zr  Zr35  1  0.038013  0.827678  0.456458  1
  Zr  Zr36  1  0.492091  0.557680  0.495053  1
  Zr  Zr37  1  0.080976  0.102048  0.488651  1
  Zr  Zr38  1  0.627000  0.372064  0.450132  1
  Zr  Zr39  1  0.280209  0.780916  0.463132  1
  Zr  Zr40  1  0.826185  0.050527  0.424495  1
  Zr  Zr41  1  0.065895  0.513950  0.501288  1
  Zr  Zr42  1  0.611932  0.783702  0.462773  1
  Zr  Zr43  1  0.265094  0.192707  0.475773  1
  Zr  Zr44  1  0.811166  0.462419  0.437190  1
  Zr  Zr45  1  0.400021  0.006959  0.430910  1
  Zr  Zr46  1  0.853932  0.737048  0.469365  1
  Zr  Zr47  1  0.053088  0.415738  0.443845  1
  Zr  Zr48  1  0.507209  0.145807  0.482420  1
  Zr  Zr49  1  0.292816  0.878955  0.520607  1
  Zr  Zr50  1  0.746876  0.609237  0.559033  1
  Zr  Zr51  1  0.946147  0.287797  0.533548  1
  Zr  Zr52  1  0.399998  0.017521  0.572173  1
  Zr  Zr53  1  0.989049  0.562259  0.565715  1
  Zr  Zr54  1  0.534909  0.832125  0.527234  1
  Zr  Zr55  1  0.188158  0.241002  0.540250  1
  Zr  Zr56  1  0.734224  0.510832  0.501648  1
  Zr  Zr57  1  0.973921  0.974499  0.578448  1
  Zr  Zr58  1  0.519731  0.243896  0.539877  1
  Zr  Zr59  1  0.173160  0.652656  0.552866  1
  Zr  Zr60  1  0.719075  0.922853  0.514295  1
  Zr  Zr61  1  0.307947  0.467097  0.507972  1
  Zr  Zr62  1  0.761973  0.197256  0.546490  1
  Zr  Zr63  1  0.961214  0.876003  0.520954  1
  Zr  Zr64  1  0.414992  0.605871  0.559508  1
  Zr  Zr65  1  0.200763  0.338672  0.597836  1
  Zr  Zr66  1  0.654795  0.070525  0.636226  1
  Zr  Zr67  1  0.854285  0.748394  0.610497  1
  Zr  Zr68  1  0.308506  0.475992  0.649662  1
  Zr  Zr69  1  0.897377  0.023789  0.643206  1
  Zr  Zr70  1  0.442731  0.291505  0.604350  1
  Zr  Zr71  1  0.096383  0.700546  0.617124  1
  Zr  Zr72  1  0.642127  0.971251  0.578775  1
  Zr  Zr73  1  0.882759  0.434614  0.655878  1
  Zr  Zr74  1  0.427609  0.703648  0.616985  1
  Zr  Zr75  1  0.080336  0.114133  0.630185  1
  Zr  Zr76  1  0.626747  0.383018  0.591312  1
  Zr  Zr77  1  0.215658  0.927459  0.585072  1
  Zr  Zr78  1  0.670196  0.657527  0.623306  1
  Zr  Zr79  1  0.869255  0.336819  0.597958  1
  Zr  Zr80  1  0.322683  0.064878  0.636687  1
  Zr  Zr81  1  0.108675  0.801713  0.674656  1
  Zr  Zr82  1  0.561714  0.538076  0.712361  1
  Zr  Zr83  1  0.760124  0.214281  0.687140  1
  Zr  Zr84  1  0.204942  0.949912  0.723255  1
  Zr  Zr85  1  0.797454  0.503473  0.718489  1
  Zr  Zr86  1  0.350067  0.752204  0.680925  1
  Zr  Zr87  1  1.000035  0.169996  0.696383  1
  Zr  Zr88  1  0.548887  0.432029  0.655942  1
  Zr  Zr89  1  0.794471  0.904489  0.729278  1
  Zr  Zr90  1  0.338343  0.157187  0.694742  1
  Zr  Zr91  1  0.990399  0.586621  0.706717  1
  Zr  Zr92  1  0.535272  0.844368  0.668290  1
  Zr  Zr93  1  0.124847  0.387384  0.662845  1
  Zr  Zr94  1  0.575035  0.124940  0.700922  1
  Zr  Zr95  1  0.776716  0.800325  0.674725  1
  Zr  Zr96  1  0.237519  0.527229  0.713136  1
  Ni  Ni97  1  0.151236  0.243820  0.290961  1
  Ni  Ni98  1  0.608073  0.977073  0.328189  1
  Ni  Ni99  1  0.108870  0.475807  0.328246  1
  Ni  Ni100  1  0.650863  0.749001  0.290900  1
  Ni  Ni101  1  0.379835  0.613172  0.308886  1
  Ni  Ni102  1  0.928081  0.878058  0.272340  1
  Ni  Ni103  1  0.427085  0.380375  0.272660  1
  Ni  Ni104  1  0.879853  0.107990  0.309280  1
  Ni  Ni105  1  0.060950  0.706210  0.367082  1
  Ni  Ni106  1  0.514983  0.438071  0.405141  1
  Ni  Ni107  1  0.014857  0.937300  0.405085  1
  Ni  Ni108  1  0.561581  0.207578  0.367065  1
  Ni  Ni109  1  0.287988  0.072682  0.385905  1
  Ni  Ni110  1  0.833401  0.341855  0.347496  1
  Ni  Ni111  1  0.334553  0.843441  0.347126  1
  Ni  Ni112  1  0.787863  0.572500  0.385860  1
  Ni  Ni113  1  0.969014  0.167173  0.443629  1
  Ni  Ni114  1  0.422995  0.897332  0.482248  1
  Ni  Ni115  1  0.923077  0.397318  0.482198  1
  Ni  Ni116  1  0.469140  0.667451  0.443675  1
  Ni  Ni117  1  0.196007  0.532336  0.462989  1
  Ni  Ni118  1  0.742073  0.802245  0.424355  1
  Ni  Ni119  1  0.242043  0.302417  0.424443  1
  Ni  Ni120  1  0.696168  0.032290  0.462962  1
  Ni  Ni121  1  0.877033  0.627562  0.520706  1
  Ni  Ni122  1  0.330885  0.357193  0.559368  1
  Ni  Ni123  1  0.831076  0.857850  0.559263  1
  Ni  Ni124  1  0.377003  0.127376  0.520789  1
  Ni  Ni125  1  0.103972  0.992506  0.540021  1
  Ni  Ni126  1  0.649999  0.262392  0.501502  1
  Ni  Ni127  1  0.150032  0.762450  0.501484  1
  Ni  Ni128  1  0.603960  0.492492  0.539998  1
  Ni  Ni129  1  0.785227  0.087818  0.597870  1
  Ni  Ni130  1  0.238615  0.817047  0.636176  1
  Ni  Ni131  1  0.739218  0.318872  0.635937  1
  Ni  Ni132  1  0.285173  0.586560  0.597949  1
  Ni  Ni133  1  0.012296  0.451997  0.617087  1
  Ni  Ni134  1  0.557839  0.722427  0.578553  1
  Ni  Ni135  1  0.058074  0.222502  0.578608  1
  Ni  Ni136  1  0.511940  0.952192  0.617130  1
  Ni  Ni137  1  0.690902  0.549923  0.674575  1
  Ni  Ni138  1  0.149465  0.279153  0.712079  1
  Ni  Ni139  1  0.648673  0.783121  0.711928  1
  Ni  Ni140  1  0.191500  0.049118  0.674846  1
  Ni  Ni141  1  0.920464  0.915354  0.692780  1
  Ni  Ni142  1  0.465635  0.180948  0.655878  1
  Ni  Ni143  1  0.967084  0.682243  0.655255  1
  Ni  Ni144  1  0.421107  0.410419  0.693571  1
