# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44045749
_cell_length_b   13.94958733
_cell_length_c   54.61929028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr80 Ni40'
_cell_volume   4907.0912124
_cell_formula_units_Z   40
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  0.835973  0.863670  0.326950  1
  Zr  Zr2  1  0.829942  0.290434  0.282275  1
  Zr  Zr3  1  0.175553  0.790434  0.282275  1
  Zr  Zr4  1  0.169523  0.363670  0.326950  1
  Zr  Zr5  1  0.337417  0.934083  0.319662  1
  Zr  Zr6  1  0.337417  0.354104  0.275928  1
  Zr  Zr7  1  0.668079  0.854104  0.275928  1
  Zr  Zr8  1  0.668078  0.434083  0.319662  1
  Zr  Zr9  1  0.325744  0.576290  0.302876  1
  Zr  Zr10  1  0.337381  0.150499  0.349535  1
  Zr  Zr11  1  0.668115  0.650499  0.349535  1
  Zr  Zr12  1  0.679752  0.076290  0.302876  1
  Zr  Zr13  1  0.829031  0.642883  0.296541  1
  Zr  Zr14  1  0.835164  0.219648  0.341918  1
  Zr  Zr15  1  0.170332  0.719648  0.341918  1
  Zr  Zr16  1  0.176465  0.142883  0.296541  1
  Zr  Zr17  1  0.834300  0.010132  0.418022  1
  Zr  Zr18  1  0.834156  0.437193  0.372691  1
  Zr  Zr19  1  0.171340  0.937193  0.372691  1
  Zr  Zr20  1  0.171196  0.510132  0.418022  1
  Zr  Zr21  1  0.334568  0.079862  0.410535  1
  Zr  Zr22  1  0.332892  0.507268  0.364991  1
  Zr  Zr23  1  0.672604  0.007268  0.364991  1
  Zr  Zr24  1  0.670928  0.579862  0.410535  1
  Zr  Zr25  1  0.332980  0.723608  0.395309  1
  Zr  Zr26  1  0.334149  0.296560  0.440802  1
  Zr  Zr27  1  0.671347  0.796560  0.440802  1
  Zr  Zr28  1  0.672516  0.223608  0.395309  1
  Zr  Zr29  1  0.833865  0.793158  0.387848  1
  Zr  Zr30  1  0.834025  0.366231  0.433382  1
  Zr  Zr31  1  0.171471  0.866231  0.433382  1
  Zr  Zr32  1  0.171631  0.293158  0.387848  1
  Zr  Zr33  1  0.834042  0.155838  0.509094  1
  Zr  Zr34  1  0.833813  0.582966  0.463559  1
  Zr  Zr35  1  0.171683  0.082966  0.463559  1
  Zr  Zr36  1  0.171454  0.655838  0.509094  1
  Zr  Zr37  1  0.334051  0.225534  0.501632  1
  Zr  Zr38  1  0.333853  0.652655  0.456115  1
  Zr  Zr39  1  0.671643  0.152655  0.456115  1
  Zr  Zr40  1  0.671445  0.725534  0.501632  1
  Zr  Zr41  1  0.334069  0.869409  0.486339  1
  Zr  Zr42  1  0.333864  0.442272  0.531854  1
  Zr  Zr43  1  0.671631  0.942272  0.531854  1
  Zr  Zr44  1  0.671427  0.369409  0.486339  1
  Zr  Zr45  1  0.834034  0.939111  0.478873  1
  Zr  Zr46  1  0.833856  0.511986  0.524395  1
  Zr  Zr47  1  0.171640  0.011986  0.524395  1
  Zr  Zr48  1  0.171462  0.439111  0.478873  1
  Zr  Zr49  1  0.833720  0.301682  0.600174  1
  Zr  Zr50  1  0.834048  0.728738  0.554600  1
  Zr  Zr51  1  0.171448  0.228738  0.554600  1
  Zr  Zr52  1  0.171776  0.801682  0.600174  1
  Zr  Zr53  1  0.333342  0.371310  0.592719  1
  Zr  Zr54  1  0.334125  0.798392  0.547167  1
  Zr  Zr55  1  0.671371  0.298392  0.547167  1
  Zr  Zr56  1  0.672153  0.871310  0.592719  1
  Zr  Zr57  1  0.334478  0.015080  0.577390  1
  Zr  Zr58  1  0.333356  0.587927  0.622953  1
  Zr  Zr59  1  0.672140  0.087927  0.622953  1
  Zr  Zr60  1  0.671018  0.515080  0.577390  1
  Zr  Zr61  1  0.834225  0.084825  0.569925  1
  Zr  Zr62  1  0.833770  0.657706  0.615351  1
  Zr  Zr63  1  0.171726  0.157706  0.615351  1
  Zr  Zr64  1  0.171271  0.584825  0.569925  1
  Zr  Zr65  1  0.828066  0.452353  0.691434  1
  Zr  Zr66  1  0.835337  0.874960  0.645868  1
  Zr  Zr67  1  0.170159  0.374960  0.645868  1
  Zr  Zr68  1  0.177430  0.952353  0.691434  1
  Zr  Zr69  1  0.325584  0.518179  0.684756  1
  Zr  Zr70  1  0.336224  0.944322  0.638291  1
  Zr  Zr71  1  0.669272  0.444322  0.638291  1
  Zr  Zr72  1  0.679912  0.018179  0.684756  1
  Zr  Zr73  1  0.335261  0.160487  0.668247  1
  Zr  Zr74  1  0.337605  0.738037  0.712737  1
  Zr  Zr75  1  0.667891  0.238037  0.712737  1
  Zr  Zr76  1  0.670235  0.660487  0.668247  1
  Zr  Zr77  1  0.836002  0.230684  0.661010  1
  Zr  Zr78  1  0.831971  0.803559  0.706145  1
  Zr  Zr79  1  0.173525  0.303559  0.706145  1
  Zr  Zr80  1  0.169494  0.730684  0.661010  1
  Ni  Ni81  1  1.002140  0.965766  0.290468  1
  Ni  Ni82  1  1.001584  0.542528  0.334589  1
  Ni  Ni83  1  0.003912  0.042528  0.334589  1
  Ni  Ni84  1  0.003356  0.465766  0.290468  1
  Ni  Ni85  1  0.501892  0.829005  0.357779  1
  Ni  Ni86  1  0.503746  0.254675  0.312552  1
  Ni  Ni87  1  0.501750  0.754675  0.312552  1
  Ni  Ni88  1  0.503604  0.329005  0.357779  1
  Ni  Ni89  1  0.003842  0.115521  0.380188  1
  Ni  Ni90  1  1.002203  0.688140  0.425739  1
  Ni  Ni91  1  0.003293  0.188140  0.425739  1
  Ni  Ni92  1  1.001654  0.615521  0.380188  1
  Ni  Ni93  1  0.502836  0.974669  0.448469  1
  Ni  Ni94  1  0.502435  0.401931  0.402970  1
  Ni  Ni95  1  0.503061  0.901931  0.402970  1
  Ni  Ni96  1  0.502660  0.474669  0.448469  1
  Ni  Ni97  1  0.002791  0.261030  0.471240  1
  Ni  Ni98  1  0.002779  0.833901  0.516732  1
  Ni  Ni99  1  1.002717  0.333901  0.516732  1
  Ni  Ni100  1  1.002705  0.761030  0.471240  1
  Ni  Ni101  1  0.502792  0.120302  0.539490  1
  Ni  Ni102  1  0.502624  0.547470  0.493980  1
  Ni  Ni103  1  0.502871  0.047470  0.493980  1
  Ni  Ni104  1  0.502704  0.620302  0.539490  1
  Ni  Ni105  1  1.002355  0.406729  0.562221  1
  Ni  Ni106  1  0.003421  0.979411  0.607663  1
  Ni  Ni107  1  1.002075  0.479411  0.607663  1
  Ni  Ni108  1  0.003141  0.906729  0.562221  1
  Ni  Ni109  1  0.502047  0.265851  0.630234  1
  Ni  Ni110  1  0.502509  0.693039  0.584978  1
  Ni  Ni111  1  0.502987  0.193039  0.584978  1
  Ni  Ni112  1  0.503449  0.765851  0.630234  1
  Ni  Ni113  1  1.001984  0.552093  0.653166  1
  Ni  Ni114  1  1.001595  0.127631  0.697370  1
  Ni  Ni115  1  0.003901  0.627631  0.697370  1
  Ni  Ni116  1  0.003512  0.052093  0.653166  1
  Ni  Ni117  1  0.499472  0.410025  0.719825  1
  Ni  Ni118  1  0.503826  0.840066  0.675804  1
  Ni  Ni119  1  0.501670  0.340066  0.675804  1
  Ni  Ni120  1  0.506024  0.910025  0.719825  1
