# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56953987
_cell_length_b   30.42379693
_cell_length_c   49.07039334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5328.99349519
_cell_formula_units_Z   72
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  0.503142  0.353007  0.329690  1
  Zr  Zr2  1  0.503142  0.665657  0.282283  1
  Zr  Zr3  1  0.503142  0.009621  0.304954  1
  Zr  Zr4  1  1.003142  0.409228  0.282380  1
  Zr  Zr5  1  1.003142  0.752294  0.306253  1
  Zr  Zr6  1  1.003142  0.095205  0.331325  1
  Zr  Zr7  1  1.003142  0.165657  0.282283  1
  Zr  Zr8  1  1.003142  0.509621  0.304954  1
  Zr  Zr9  1  1.003142  0.853007  0.329690  1
  Zr  Zr10  1  0.503142  0.252294  0.306253  1
  Zr  Zr11  1  0.503142  0.595205  0.331325  1
  Zr  Zr12  1  0.503142  0.909228  0.282380  1
  Zr  Zr13  1  0.503142  0.385925  0.406753  1
  Zr  Zr14  1  0.503142  0.697479  0.355107  1
  Zr  Zr15  1  0.503142  0.041714  0.381462  1
  Zr  Zr16  1  1.003142  0.439528  0.356679  1
  Zr  Zr17  1  1.003142  0.783713  0.382020  1
  Zr  Zr18  1  1.003142  0.128209  0.408277  1
  Zr  Zr19  1  1.003142  0.197479  0.355107  1
  Zr  Zr20  1  1.003142  0.541714  0.381462  1
  Zr  Zr21  1  1.003142  0.885925  0.406753  1
  Zr  Zr22  1  0.503142  0.283713  0.382020  1
  Zr  Zr23  1  0.503142  0.628209  0.408277  1
  Zr  Zr24  1  0.503142  0.939528  0.356679  1
  Zr  Zr25  1  0.503142  0.418774  0.483944  1
  Zr  Zr26  1  0.503142  0.730431  0.432466  1
  Zr  Zr27  1  0.503142  0.074607  0.458323  1
  Zr  Zr28  1  1.003142  0.472255  0.433961  1
  Zr  Zr29  1  1.003142  0.816622  0.459496  1
  Zr  Zr30  1  1.003142  0.160950  0.485252  1
  Zr  Zr31  1  1.003142  0.230431  0.432466  1
  Zr  Zr32  1  1.003142  0.574607  0.458323  1
  Zr  Zr33  1  1.003142  0.918774  0.483944  1
  Zr  Zr34  1  0.503142  0.316622  0.459496  1
  Zr  Zr35  1  0.503142  0.660950  0.485252  1
  Zr  Zr36  1  0.503142  0.972255  0.433961  1
  Zr  Zr37  1  0.503142  0.451754  0.560947  1
  Zr  Zr38  1  0.503142  0.763059  0.509656  1
  Zr  Zr39  1  0.503142  0.107387  0.535412  1
  Zr  Zr40  1  1.003142  0.505235  0.510964  1
  Zr  Zr41  1  1.003142  0.849402  0.536585  1
  Zr  Zr42  1  1.003142  0.193578  0.562441  1
  Zr  Zr43  1  1.003142  0.263059  0.509656  1
  Zr  Zr44  1  1.003142  0.607387  0.535412  1
  Zr  Zr45  1  1.003142  0.951754  0.560947  1
  Zr  Zr46  1  0.503142  0.349402  0.536585  1
  Zr  Zr47  1  0.503142  0.693578  0.562441  1
  Zr  Zr48  1  0.503142  0.005235  0.510964  1
  Zr  Zr49  1  0.503142  0.484481  0.638229  1
  Zr  Zr50  1  0.503142  0.795800  0.586631  1
  Zr  Zr51  1  0.503142  0.140296  0.612888  1
  Zr  Zr52  1  1.003142  0.538084  0.588155  1
  Zr  Zr53  1  1.003142  0.882295  0.613446  1
  Zr  Zr54  1  1.003142  0.226529  0.639801  1
  Zr  Zr55  1  1.003142  0.295800  0.586631  1
  Zr  Zr56  1  1.003142  0.640296  0.612888  1
  Zr  Zr57  1  1.003142  0.984481  0.638229  1
  Zr  Zr58  1  0.503142  0.382295  0.613446  1
  Zr  Zr59  1  0.503142  0.726529  0.639801  1
  Zr  Zr60  1  0.503142  0.038084  0.588155  1
  Zr  Zr61  1  0.503142  0.514781  0.712528  1
  Zr  Zr62  1  0.503142  0.828804  0.663583  1
  Zr  Zr63  1  0.503142  0.171715  0.688655  1
  Zr  Zr64  1  1.003142  0.571002  0.665218  1
  Zr  Zr65  1  1.003142  0.914388  0.689954  1
  Zr  Zr66  1  1.003142  0.258352  0.712625  1
  Zr  Zr67  1  1.003142  0.328804  0.663583  1
  Zr  Zr68  1  1.003142  0.671715  0.688655  1
  Zr  Zr69  1  1.003142  0.014781  0.712528  1
  Zr  Zr70  1  0.503142  0.414388  0.689954  1
  Zr  Zr71  1  0.503142  0.758352  0.712625  1
  Zr  Zr72  1  0.503142  0.071002  0.665218  1
  Ni  Ni73  1  0.503142  0.442486  0.315368  1
  Ni  Ni74  1  0.503142  0.786079  0.340392  1
  Ni  Ni75  1  0.503142  0.097945  0.288618  1
  Ni  Ni76  1  1.003142  0.318809  0.293079  1
  Ni  Ni77  1  1.003142  0.662961  0.320298  1
  Ni  Ni78  1  1.003142  0.974042  0.268732  1
  Ni  Ni79  1  1.003142  0.286079  0.340392  1
  Ni  Ni80  1  1.003142  0.597945  0.288618  1
  Ni  Ni81  1  1.003142  0.942486  0.315368  1
  Ni  Ni82  1  0.503142  0.162961  0.320298  1
  Ni  Ni83  1  0.503142  0.474042  0.268732  1
  Ni  Ni84  1  0.503142  0.818809  0.293079  1
  Ni  Ni85  1  0.503142  0.474080  0.392443  1
  Ni  Ni86  1  0.503142  0.818378  0.417816  1
  Ni  Ni87  1  0.503142  0.129745  0.366904  1
  Ni  Ni88  1  1.003142  0.351310  0.371190  1
  Ni  Ni89  1  1.003142  0.695755  0.396982  1
  Ni  Ni90  1  1.003142  0.007647  0.345788  1
  Ni  Ni91  1  1.003142  0.318378  0.417816  1
  Ni  Ni92  1  1.003142  0.629745  0.366904  1
  Ni  Ni93  1  1.003142  0.974080  0.392443  1
  Ni  Ni94  1  0.503142  0.195755  0.396982  1
  Ni  Ni95  1  0.503142  0.507647  0.345788  1
  Ni  Ni96  1  0.503142  0.851310  0.371190  1
  Ni  Ni97  1  0.503142  0.506974  0.469466  1
  Ni  Ni98  1  0.503142  0.851194  0.495044  1
  Ni  Ni99  1  0.503142  0.162847  0.443680  1
  Ni  Ni100  1  1.003142  0.384102  0.448343  1
  Ni  Ni101  1  1.003142  0.728523  0.474087  1
  Ni  Ni102  1  1.003142  0.039934  0.422869  1
  Ni  Ni103  1  1.003142  0.351194  0.495044  1
  Ni  Ni104  1  1.003142  0.662847  0.443680  1
  Ni  Ni105  1  1.003142  0.006974  0.469466  1
  Ni  Ni106  1  0.503142  0.228523  0.474087  1
  Ni  Ni107  1  0.503142  0.539934  0.422869  1
  Ni  Ni108  1  0.503142  0.884102  0.448343  1
  Ni  Ni109  1  0.503142  0.539907  0.546565  1
  Ni  Ni110  1  0.503142  0.884075  0.572039  1
  Ni  Ni111  1  0.503142  0.195486  0.520821  1
  Ni  Ni112  1  1.003142  0.417035  0.525442  1
  Ni  Ni113  1  1.003142  0.761162  0.551228  1
  Ni  Ni114  1  1.003142  0.072815  0.499864  1
  Ni  Ni115  1  1.003142  0.384075  0.572039  1
  Ni  Ni116  1  1.003142  0.695486  0.520821  1
  Ni  Ni117  1  1.003142  0.039907  0.546565  1
  Ni  Ni118  1  0.503142  0.261162  0.551228  1
  Ni  Ni119  1  0.503142  0.572815  0.499864  1
  Ni  Ni120  1  0.503142  0.917035  0.525442  1
  Ni  Ni121  1  0.503142  0.572699  0.623718  1
  Ni  Ni122  1  0.503142  0.916362  0.649120  1
  Ni  Ni123  1  0.503142  0.228254  0.597926  1
  Ni  Ni124  1  1.003142  0.449929  0.602465  1
  Ni  Ni125  1  1.003142  0.794264  0.628003  1
  Ni  Ni126  1  1.003142  0.105631  0.577092  1
  Ni  Ni127  1  1.003142  0.416362  0.649120  1
  Ni  Ni128  1  1.003142  0.728254  0.597926  1
  Ni  Ni129  1  1.003142  0.072699  0.623718  1
  Ni  Ni130  1  0.503142  0.294264  0.628003  1
  Ni  Ni131  1  0.503142  0.605631  0.577092  1
  Ni  Ni132  1  0.503142  0.949929  0.602465  1
  Ni  Ni133  1  0.503142  0.605200  0.701828  1
  Ni  Ni134  1  0.503142  0.949967  0.726176  1
  Ni  Ni135  1  0.503142  0.261048  0.674610  1
  Ni  Ni136  1  1.003142  0.481523  0.679540  1
  Ni  Ni137  1  1.003142  0.826063  0.706290  1
  Ni  Ni138  1  1.003142  0.137930  0.654516  1
  Ni  Ni139  1  1.003142  0.449967  0.726176  1
  Ni  Ni140  1  1.003142  0.761048  0.674610  1
  Ni  Ni141  1  1.003142  0.105200  0.701828  1
  Ni  Ni142  1  0.503142  0.326063  0.706290  1
  Ni  Ni143  1  0.503142  0.637930  0.654516  1
  Ni  Ni144  1  0.503142  0.981523  0.679540  1
