# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29624957
_cell_length_b   9.09180406
_cell_length_c   48.43009989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.92529291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr64 Ni64'
_cell_volume   4508.15616293
_cell_formula_units_Z   64
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  0.215238  0.545057  0.301991  1
  Zr  Zr2  1  0.235951  0.119655  0.278934  1
  Zr  Zr3  1  0.404958  0.812656  0.304462  1
  Zr  Zr4  1  0.478680  0.350229  0.275864  1
  Zr  Zr5  1  0.715238  0.545057  0.301991  1
  Zr  Zr6  1  0.735951  0.119655  0.278934  1
  Zr  Zr7  1  0.904958  0.812656  0.304462  1
  Zr  Zr8  1  0.978680  0.350229  0.275864  1
  Zr  Zr9  1  0.116256  0.452896  0.365528  1
  Zr  Zr10  1  0.173425  0.002186  0.336737  1
  Zr  Zr11  1  0.353135  0.692698  0.363775  1
  Zr  Zr12  1  0.382905  0.262064  0.335657  1
  Zr  Zr13  1  0.616256  0.452896  0.365528  1
  Zr  Zr14  1  0.673425  0.002186  0.336737  1
  Zr  Zr15  1  0.853135  0.692698  0.363775  1
  Zr  Zr16  1  0.882905  0.262064  0.335657  1
  Zr  Zr17  1  0.041832  0.324626  0.424752  1
  Zr  Zr18  1  0.077718  0.881588  0.394313  1
  Zr  Zr19  1  0.259370  0.581784  0.424059  1
  Zr  Zr20  1  0.308897  0.133063  0.394087  1
  Zr  Zr21  1  0.541832  0.324626  0.424752  1
  Zr  Zr22  1  0.577718  0.881588  0.394313  1
  Zr  Zr23  1  0.759370  0.581784  0.424059  1
  Zr  Zr24  1  0.808897  0.133063  0.394087  1
  Zr  Zr25  1  0.955745  0.216047  0.483865  1
  Zr  Zr26  1  0.996558  0.773205  0.454579  1
  Zr  Zr27  1  0.182076  0.468082  0.482646  1
  Zr  Zr28  1  0.221877  0.024241  0.453227  1
  Zr  Zr29  1  0.455745  0.216047  0.483865  1
  Zr  Zr30  1  0.496558  0.773205  0.454579  1
  Zr  Zr31  1  0.682076  0.468082  0.482646  1
  Zr  Zr32  1  0.721877  0.024241  0.453227  1
  Zr  Zr33  1  0.874343  0.103723  0.543035  1
  Zr  Zr34  1  0.914145  0.659883  0.513616  1
  Zr  Zr35  1  0.099662  0.354760  0.541683  1
  Zr  Zr36  1  0.140475  0.911918  0.512397  1
  Zr  Zr37  1  0.374343  0.103723  0.543035  1
  Zr  Zr38  1  0.414145  0.659883  0.513616  1
  Zr  Zr39  1  0.599662  0.354760  0.541683  1
  Zr  Zr40  1  0.640475  0.911918  0.512397  1
  Zr  Zr41  1  0.787324  0.994901  0.602175  1
  Zr  Zr42  1  0.836851  0.546181  0.572203  1
  Zr  Zr43  1  0.018503  0.246377  0.601949  1
  Zr  Zr44  1  0.054389  0.803339  0.571510  1
  Zr  Zr45  1  0.287324  0.994901  0.602175  1
  Zr  Zr46  1  0.336851  0.546181  0.572203  1
  Zr  Zr47  1  0.518503  0.246377  0.601949  1
  Zr  Zr48  1  0.554389  0.803339  0.571510  1
  Zr  Zr49  1  0.713315  0.865901  0.660605  1
  Zr  Zr50  1  0.743086  0.435267  0.632487  1
  Zr  Zr51  1  0.922796  0.125779  0.659525  1
  Zr  Zr52  1  0.979964  0.675069  0.630734  1
  Zr  Zr53  1  0.213315  0.865901  0.660605  1
  Zr  Zr54  1  0.243086  0.435267  0.632487  1
  Zr  Zr55  1  0.422796  0.125779  0.659525  1
  Zr  Zr56  1  0.479964  0.675069  0.630734  1
  Zr  Zr57  1  0.617541  0.777735  0.720398  1
  Zr  Zr58  1  0.691263  0.315309  0.691800  1
  Zr  Zr59  1  0.860269  0.008310  0.717328  1
  Zr  Zr60  1  0.880983  0.582908  0.694271  1
  Zr  Zr61  1  0.117541  0.777735  0.720398  1
  Zr  Zr62  1  0.191263  0.315309  0.691800  1
  Zr  Zr63  1  0.360269  0.008310  0.717328  1
  Zr  Zr64  1  0.380983  0.582908  0.694271  1
  Ni  Ni65  1  0.512123  0.628397  0.270172  1
  Ni  Ni66  1  0.488253  0.072622  0.298973  1
  Ni  Ni67  1  0.147672  0.836352  0.290572  1
  Ni  Ni68  1  0.124343  0.282013  0.320323  1
  Ni  Ni69  1  0.012123  0.628397  0.270172  1
  Ni  Ni70  1  0.988253  0.072622  0.298973  1
  Ni  Ni71  1  0.647672  0.836352  0.290572  1
  Ni  Ni72  1  0.624343  0.282013  0.320323  1
  Ni  Ni73  1  0.469800  0.529477  0.320013  1
  Ni  Ni74  1  0.431614  0.970042  0.350408  1
  Ni  Ni75  1  0.101617  0.734028  0.340413  1
  Ni  Ni76  1  0.051938  0.174675  0.375730  1
  Ni  Ni77  1  0.969800  0.529477  0.320013  1
  Ni  Ni78  1  0.931614  0.970042  0.350408  1
  Ni  Ni79  1  0.601617  0.734028  0.340413  1
  Ni  Ni80  1  0.551938  0.174675  0.375730  1
  Ni  Ni81  1  0.373068  0.406658  0.385176  1
  Ni  Ni82  1  0.334312  0.850571  0.412387  1
  Ni  Ni83  1  1.000708  0.609163  0.408939  1
  Ni  Ni84  1  0.965275  0.054411  0.436307  1
  Ni  Ni85  1  0.873068  0.406658  0.385176  1
  Ni  Ni86  1  0.834312  0.850571  0.412387  1
  Ni  Ni87  1  0.500708  0.609163  0.408939  1
  Ni  Ni88  1  0.465275  0.054411  0.436307  1
  Ni  Ni89  1  0.298547  0.295953  0.441240  1
  Ni  Ni90  1  0.254683  0.739763  0.471601  1
  Ni  Ni91  1  0.925934  0.501377  0.465027  1
  Ni  Ni92  1  0.882995  0.944501  0.495283  1
  Ni  Ni93  1  0.798547  0.295953  0.441240  1
  Ni  Ni94  1  0.754683  0.739763  0.471601  1
  Ni  Ni95  1  0.425934  0.501377  0.465027  1
  Ni  Ni96  1  0.382995  0.944501  0.495283  1
  Ni  Ni97  1  0.213226  0.183464  0.500979  1
  Ni  Ni98  1  0.170286  0.626588  0.531235  1
  Ni  Ni99  1  0.841538  0.388202  0.524661  1
  Ni  Ni100  1  0.797674  0.832012  0.555022  1
  Ni  Ni101  1  0.713226  0.183464  0.500979  1
  Ni  Ni102  1  0.670286  0.626588  0.531235  1
  Ni  Ni103  1  0.341538  0.388202  0.524661  1
  Ni  Ni104  1  0.297674  0.832012  0.555022  1
  Ni  Ni105  1  0.130945  0.073553  0.559955  1
  Ni  Ni106  1  0.095513  0.518802  0.587323  1
  Ni  Ni107  1  0.761909  0.277394  0.583875  1
  Ni  Ni108  1  0.723153  0.721307  0.611086  1
  Ni  Ni109  1  0.630945  0.073553  0.559955  1
  Ni  Ni110  1  0.595513  0.518802  0.587323  1
  Ni  Ni111  1  0.261909  0.277394  0.583875  1
  Ni  Ni112  1  0.223153  0.721307  0.611086  1
  Ni  Ni113  1  0.044283  0.953290  0.620532  1
  Ni  Ni114  1  0.994604  0.393937  0.655849  1
  Ni  Ni115  1  0.664606  0.157922  0.645854  1
  Ni  Ni116  1  0.626421  0.598487  0.676249  1
  Ni  Ni117  1  0.544283  0.953290  0.620532  1
  Ni  Ni118  1  0.494604  0.393937  0.655849  1
  Ni  Ni119  1  0.164606  0.157922  0.645854  1
  Ni  Ni120  1  0.126421  0.598487  0.676249  1
  Ni  Ni121  1  0.971877  0.845951  0.675939  1
  Ni  Ni122  1  0.948548  0.291613  0.705690  1
  Ni  Ni123  1  0.607968  0.055343  0.697289  1
  Ni  Ni124  1  0.584098  0.499568  0.726090  1
  Ni  Ni125  1  0.471877  0.845951  0.675939  1
  Ni  Ni126  1  0.448548  0.291613  0.705690  1
  Ni  Ni127  1  0.107968  0.055343  0.697289  1
  Ni  Ni128  1  0.084098  0.499568  0.726090  1
