# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39153407
_cell_length_b   19.91728225
_cell_length_c   46.51100981
_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   'Zr96 Ni48'
_cell_volume   5920.94401259
_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  0.327237  0.574331  0.283552  1
  Zr  Zr2  1  0.325192  0.263800  0.317988  1
  Zr  Zr3  1  0.338569  0.953493  0.357043  1
  Zr  Zr4  1  0.174336  0.799181  0.375556  1
  Zr  Zr5  1  0.182893  0.420617  0.300245  1
  Zr  Zr6  1  0.172103  0.109017  0.338780  1
  Zr  Zr7  1  0.331845  0.810635  0.313325  1
  Zr  Zr8  1  0.337632  0.503818  0.350923  1
  Zr  Zr9  1  0.333862  0.117815  0.278715  1
  Zr  Zr10  1  0.171136  0.659784  0.332908  1
  Zr  Zr11  1  0.176935  0.348734  0.368964  1
  Zr  Zr12  1  0.183816  0.965922  0.295103  1
  Zr  Zr13  1  0.825192  0.763800  0.317988  1
  Zr  Zr14  1  0.838569  0.453493  0.357043  1
  Zr  Zr15  1  0.827237  0.074331  0.283552  1
  Zr  Zr16  1  0.672103  0.609017  0.338780  1
  Zr  Zr17  1  0.674336  0.299181  0.375556  1
  Zr  Zr18  1  0.682893  0.920617  0.300245  1
  Zr  Zr19  1  0.833862  0.617815  0.278715  1
  Zr  Zr20  1  0.831845  0.310635  0.313325  1
  Zr  Zr21  1  0.837632  1.003818  0.350923  1
  Zr  Zr22  1  0.676935  0.848734  0.368964  1
  Zr  Zr23  1  0.683816  0.465922  0.295103  1
  Zr  Zr24  1  0.671136  0.159784  0.332908  1
  Zr  Zr25  1  0.335700  0.644638  0.394672  1
  Zr  Zr26  1  0.335122  0.334152  0.431215  1
  Zr  Zr27  1  0.335678  0.023485  0.468502  1
  Zr  Zr28  1  0.176524  0.868350  0.487007  1
  Zr  Zr29  1  0.177207  0.488816  0.412920  1
  Zr  Zr30  1  0.176393  0.178836  0.450020  1
  Zr  Zr31  1  0.335869  0.883453  0.425252  1
  Zr  Zr32  1  0.335607  0.573240  0.462643  1
  Zr  Zr33  1  0.334527  0.194488  0.388470  1
  Zr  Zr34  1  0.175983  0.728672  0.444060  1
  Zr  Zr35  1  0.176384  0.417953  0.481114  1
  Zr  Zr36  1  0.176001  0.038613  0.407020  1
  Zr  Zr37  1  0.835122  0.834152  0.431215  1
  Zr  Zr38  1  0.835678  0.523485  0.468502  1
  Zr  Zr39  1  0.835700  0.144638  0.394672  1
  Zr  Zr40  1  0.676393  0.678836  0.450020  1
  Zr  Zr41  1  0.676524  0.368350  0.487007  1
  Zr  Zr42  1  0.677207  0.988816  0.412920  1
  Zr  Zr43  1  0.834527  0.694488  0.388470  1
  Zr  Zr44  1  0.835869  0.383453  0.425252  1
  Zr  Zr45  1  0.835607  0.073240  0.462643  1
  Zr  Zr46  1  0.676384  0.917953  0.481114  1
  Zr  Zr47  1  0.676001  0.538613  0.407020  1
  Zr  Zr48  1  0.675983  0.228672  0.444060  1
  Zr  Zr49  1  0.335588  0.713313  0.505608  1
  Zr  Zr50  1  0.335988  0.402594  0.542662  1
  Zr  Zr51  1  0.335970  0.092654  0.579702  1
  Zr  Zr52  1  0.177444  0.936778  0.598251  1
  Zr  Zr53  1  0.176365  0.558026  0.524079  1
  Zr  Zr54  1  0.176103  0.247814  0.561469  1
  Zr  Zr55  1  0.335579  0.952430  0.536702  1
  Zr  Zr56  1  0.334765  0.642451  0.573801  1
  Zr  Zr57  1  0.335448  0.262916  0.499714  1
  Zr  Zr58  1  0.176849  0.797114  0.555506  1
  Zr  Zr59  1  0.176271  0.486629  0.592049  1
  Zr  Zr60  1  0.176293  0.107782  0.518219  1
  Zr  Zr61  1  0.835988  0.902594  0.542662  1
  Zr  Zr62  1  0.835970  0.592654  0.579702  1
  Zr  Zr63  1  0.835588  0.213313  0.505608  1
  Zr  Zr64  1  0.676103  0.747814  0.561469  1
  Zr  Zr65  1  0.677444  0.436778  0.598251  1
  Zr  Zr66  1  0.676365  0.058026  0.524079  1
  Zr  Zr67  1  0.835448  0.762916  0.499714  1
  Zr  Zr68  1  0.835579  0.452430  0.536702  1
  Zr  Zr69  1  0.834765  0.142451  0.573801  1
  Zr  Zr70  1  0.676271  0.986629  0.592049  1
  Zr  Zr71  1  0.676293  0.607782  0.518219  1
  Zr  Zr72  1  0.676849  0.297114  0.555506  1
  Zr  Zr73  1  0.335037  0.782533  0.617757  1
  Zr  Zr74  1  0.340835  0.471482  0.653814  1
  Zr  Zr75  1  0.328156  0.165345  0.691619  1
  Zr  Zr76  1  0.178109  0.013451  0.708007  1
  Zr  Zr77  1  0.174340  0.627448  0.635799  1
  Zr  Zr78  1  0.180127  0.320631  0.673397  1
  Zr  Zr79  1  0.339869  0.022249  0.647942  1
  Zr  Zr80  1  0.329078  0.710650  0.686477  1
  Zr  Zr81  1  0.337635  0.332085  0.611166  1
  Zr  Zr82  1  0.186780  0.867466  0.668734  1
  Zr  Zr83  1  0.184735  0.556935  0.703170  1
  Zr  Zr84  1  0.173403  0.177773  0.629678  1
  Zr  Zr85  1  0.840835  0.971482  0.653814  1
  Zr  Zr86  1  0.828156  0.665345  0.691619  1
  Zr  Zr87  1  0.835037  0.282533  0.617757  1
  Zr  Zr88  1  0.680127  0.820631  0.673397  1
  Zr  Zr89  1  0.678109  0.513451  0.708007  1
  Zr  Zr90  1  0.674340  0.127448  0.635799  1
  Zr  Zr91  1  0.837635  0.832085  0.611166  1
  Zr  Zr92  1  0.839869  0.522249  0.647942  1
  Zr  Zr93  1  0.829078  0.210650  0.686477  1
  Zr  Zr94  1  0.684735  0.056935  0.703170  1
  Zr  Zr95  1  0.673403  0.677773  0.629678  1
  Zr  Zr96  1  0.686780  0.367466  0.668734  1
  Ni  Ni97  1  0.505908  0.729926  0.354706  1
  Ni  Ni98  1  0.507292  0.348607  0.282248  1
  Ni  Ni99  1  0.506556  0.039053  0.318955  1
  Ni  Ni100  1  0.504700  0.691208  0.300449  1
  Ni  Ni101  1  0.507411  0.383371  0.335716  1
  Ni  Ni102  1  0.506720  0.074659  0.374060  1
  Ni  Ni103  1  0.007292  0.848607  0.282248  1
  Ni  Ni104  1  0.006556  0.539053  0.318955  1
  Ni  Ni105  1  1.005908  0.229926  0.354706  1
  Ni  Ni106  1  0.007411  0.883371  0.335716  1
  Ni  Ni107  1  0.006720  0.574659  0.374060  1
  Ni  Ni108  1  1.004700  0.191208  0.300449  1
  Ni  Ni109  1  0.506042  0.798571  0.465637  1
  Ni  Ni110  1  0.506080  0.419405  0.391958  1
  Ni  Ni111  1  0.505894  0.108923  0.428826  1
  Ni  Ni112  1  0.506368  0.764461  0.410327  1
  Ni  Ni113  1  0.506278  0.453617  0.447305  1
  Ni  Ni114  1  0.505841  0.143292  0.484091  1
  Ni  Ni115  1  0.006080  0.919405  0.391958  1
  Ni  Ni116  1  1.005894  0.608923  0.428826  1
  Ni  Ni117  1  0.006042  0.298571  0.465637  1
  Ni  Ni118  1  0.006278  0.953617  0.447305  1
  Ni  Ni119  1  1.005841  0.643292  0.484091  1
  Ni  Ni120  1  0.006368  0.264461  0.410327  1
  Ni  Ni121  1  0.505604  0.866805  0.576394  1
  Ni  Ni122  1  0.506131  0.487975  0.502631  1
  Ni  Ni123  1  0.505694  0.177650  0.539416  1
  Ni  Ni124  1  0.505929  0.832696  0.521085  1
  Ni  Ni125  1  0.506078  0.522344  0.557896  1
  Ni  Ni126  1  0.505891  0.211861  0.594764  1
  Ni  Ni127  1  0.006131  0.987975  0.502631  1
  Ni  Ni128  1  1.005694  0.677650  0.539416  1
  Ni  Ni129  1  1.005604  0.366805  0.576394  1
  Ni  Ni130  1  0.006078  0.022344  0.557896  1
  Ni  Ni131  1  1.005891  0.711861  0.594764  1
  Ni  Ni132  1  1.005929  0.332696  0.521085  1
  Ni  Ni133  1  0.507272  0.940059  0.686272  1
  Ni  Ni134  1  0.505252  0.556607  0.612662  1
  Ni  Ni135  1  0.504561  0.247895  0.651006  1
  Ni  Ni136  1  0.506064  0.901340  0.632016  1
  Ni  Ni137  1  0.505415  0.592214  0.667767  1
  Ni  Ni138  1  0.504679  0.282660  0.704473  1
  Ni  Ni139  1  1.005252  0.056607  0.612662  1
  Ni  Ni140  1  1.004561  0.747895  0.651006  1
  Ni  Ni141  1  0.007272  0.440059  0.686272  1
  Ni  Ni142  1  1.005415  0.092214  0.667767  1
  Ni  Ni143  1  1.004679  0.782660  0.704473  1
  Ni  Ni144  1  0.006064  0.401340  0.632016  1
