# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81887292
_cell_length_b   10.38549861
_cell_length_c   50.65506626
_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   5165.49421249
_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  0.642430  0.359695  0.313080  1
  Zr  Zr2  1  0.646848  0.082766  0.340466  1
  Zr  Zr3  1  0.638754  0.647946  0.290084  1
  Zr  Zr4  1  0.865272  0.147946  0.290084  1
  Zr  Zr5  1  0.861597  0.859695  0.313080  1
  Zr  Zr6  1  0.857178  0.582766  0.340466  1
  Zr  Zr7  1  0.141739  0.222293  0.328337  1
  Zr  Zr8  1  0.124219  0.782665  0.278417  1
  Zr  Zr9  1  0.153363  0.499051  0.298822  1
  Zr  Zr10  1  0.379807  0.282665  0.278417  1
  Zr  Zr11  1  0.350664  0.999051  0.298822  1
  Zr  Zr12  1  0.362288  0.722293  0.328337  1
  Zr  Zr13  1  0.643172  0.526334  0.391513  1
  Zr  Zr14  1  0.639877  0.249191  0.415976  1
  Zr  Zr15  1  0.634003  0.805467  0.363560  1
  Zr  Zr16  1  0.870023  0.305467  0.363560  1
  Zr  Zr17  1  0.860854  0.026334  0.391513  1
  Zr  Zr18  1  0.864149  0.749191  0.415976  1
  Zr  Zr19  1  0.143227  0.387639  0.402735  1
  Zr  Zr20  1  0.140555  0.940645  0.350999  1
  Zr  Zr21  1  0.137298  0.665948  0.378660  1
  Zr  Zr22  1  0.363471  0.440645  0.350999  1
  Zr  Zr23  1  0.366729  0.165948  0.378660  1
  Zr  Zr24  1  0.360799  0.887639  0.402735  1
  Zr  Zr25  1  0.639409  0.695372  0.467400  1
  Zr  Zr26  1  0.641370  0.417803  0.493885  1
  Zr  Zr27  1  0.641064  0.972149  0.442511  1
  Zr  Zr28  1  0.862963  0.472149  0.442511  1
  Zr  Zr29  1  0.864618  0.195372  0.467400  1
  Zr  Zr30  1  0.862656  0.917803  0.493885  1
  Zr  Zr31  1  0.139775  0.556656  0.480890  1
  Zr  Zr32  1  0.139016  0.110645  0.429876  1
  Zr  Zr33  1  0.141044  0.833008  0.454697  1
  Zr  Zr34  1  0.365010  0.610645  0.429876  1
  Zr  Zr35  1  0.362982  0.333008  0.454697  1
  Zr  Zr36  1  0.364251  0.056656  0.480890  1
  Zr  Zr37  1  0.641044  0.864386  0.545180  1
  Zr  Zr38  1  0.639016  0.586748  0.570001  1
  Zr  Zr39  1  0.639775  0.140738  0.518987  1
  Zr  Zr40  1  0.864251  0.640738  0.518987  1
  Zr  Zr41  1  0.862982  0.364386  0.545180  1
  Zr  Zr42  1  0.865010  0.086748  0.570001  1
  Zr  Zr43  1  0.141064  0.725245  0.557366  1
  Zr  Zr44  1  0.141370  0.279590  0.505993  1
  Zr  Zr45  1  0.139409  0.002022  0.532477  1
  Zr  Zr46  1  0.362656  0.779590  0.505993  1
  Zr  Zr47  1  0.364618  0.502022  0.532477  1
  Zr  Zr48  1  0.362963  0.225245  0.557366  1
  Zr  Zr49  1  0.637298  0.031446  0.621218  1
  Zr  Zr50  1  0.640555  0.756749  0.648878  1
  Zr  Zr51  1  0.643227  0.309755  0.597142  1
  Zr  Zr52  1  0.860799  0.809755  0.597142  1
  Zr  Zr53  1  0.866729  0.531446  0.621218  1
  Zr  Zr54  1  0.863471  0.256749  0.648878  1
  Zr  Zr55  1  0.134003  0.891927  0.636318  1
  Zr  Zr56  1  0.139877  0.448203  0.583901  1
  Zr  Zr57  1  0.143172  0.171060  0.608364  1
  Zr  Zr58  1  0.364149  0.948203  0.583901  1
  Zr  Zr59  1  0.360854  0.671060  0.608364  1
  Zr  Zr60  1  0.370023  0.391927  0.636318  1
  Zr  Zr61  1  0.653363  0.198342  0.701055  1
  Zr  Zr62  1  0.624219  0.914729  0.721461  1
  Zr  Zr63  1  0.641739  0.475101  0.671540  1
  Zr  Zr64  1  0.862288  0.975101  0.671540  1
  Zr  Zr65  1  0.850664  0.698342  0.701055  1
  Zr  Zr66  1  0.879807  0.414729  0.721461  1
  Zr  Zr67  1  0.138754  0.049448  0.709793  1
  Zr  Zr68  1  0.146848  0.614628  0.659412  1
  Zr  Zr69  1  0.142430  0.337699  0.686797  1
  Zr  Zr70  1  0.357178  0.114628  0.659412  1
  Zr  Zr71  1  0.361597  0.837699  0.686797  1
  Zr  Zr72  1  0.365272  0.549448  0.709793  1
  Ni  Ni73  1  0.928234  0.373744  0.310643  1
  Ni  Ni74  1  0.922778  0.074369  0.340027  1
  Ni  Ni75  1  0.916095  0.614082  0.290622  1
  Ni  Ni76  1  0.587931  0.114082  0.290622  1
  Ni  Ni77  1  0.575792  0.873744  0.310643  1
  Ni  Ni78  1  0.581249  0.574369  0.340027  1
  Ni  Ni79  1  0.424116  0.207769  0.327236  1
  Ni  Ni80  1  0.396077  0.743228  0.278240  1
  Ni  Ni81  1  0.424155  0.510555  0.299847  1
  Ni  Ni82  1  0.107950  0.243228  0.278240  1
  Ni  Ni83  1  0.079872  0.010555  0.299847  1
  Ni  Ni84  1  0.079911  0.707769  0.327236  1
  Ni  Ni85  1  0.922436  0.520301  0.391498  1
  Ni  Ni86  1  0.921115  0.255787  0.415608  1
  Ni  Ni87  1  0.917184  0.811411  0.364226  1
  Ni  Ni88  1  0.586843  0.311411  0.364226  1
  Ni  Ni89  1  0.581591  0.020301  0.391498  1
  Ni  Ni90  1  0.582911  0.755787  0.415608  1
  Ni  Ni91  1  0.422192  0.393166  0.403030  1
  Ni  Ni92  1  0.420273  0.959359  0.349646  1
  Ni  Ni93  1  0.419658  0.653939  0.379401  1
  Ni  Ni94  1  0.083753  0.459359  0.349646  1
  Ni  Ni95  1  0.084368  0.153939  0.379401  1
  Ni  Ni96  1  0.081834  0.893166  0.403030  1
  Ni  Ni97  1  0.920668  0.697616  0.467545  1
  Ni  Ni98  1  0.921581  0.415610  0.493755  1
  Ni  Ni99  1  0.921138  0.967904  0.442693  1
  Ni  Ni100  1  0.582888  0.467904  0.442693  1
  Ni  Ni101  1  0.583358  0.197616  0.467545  1
  Ni  Ni102  1  0.582445  0.915610  0.493755  1
  Ni  Ni103  1  0.421045  0.553202  0.481094  1
  Ni  Ni104  1  0.420660  0.106735  0.429704  1
  Ni  Ni105  1  0.420924  0.837583  0.454395  1
  Ni  Ni106  1  0.083367  0.606735  0.429704  1
  Ni  Ni107  1  0.083102  0.337583  0.454395  1
  Ni  Ni108  1  0.082982  0.053202  0.481094  1
  Ni  Ni109  1  0.920924  0.859810  0.545482  1
  Ni  Ni110  1  0.920660  0.590659  0.570173  1
  Ni  Ni111  1  0.921045  0.144192  0.518783  1
  Ni  Ni112  1  0.582982  0.644192  0.518783  1
  Ni  Ni113  1  0.583102  0.359810  0.545482  1
  Ni  Ni114  1  0.583367  0.090659  0.570173  1
  Ni  Ni115  1  0.421138  0.729489  0.557184  1
  Ni  Ni116  1  0.421581  0.281784  0.506123  1
  Ni  Ni117  1  0.420668  0.999777  0.532332  1
  Ni  Ni118  1  0.082445  0.781784  0.506123  1
  Ni  Ni119  1  0.083358  0.499777  0.532332  1
  Ni  Ni120  1  0.082888  0.229489  0.557184  1
  Ni  Ni121  1  0.919658  0.043455  0.620477  1
  Ni  Ni122  1  0.920273  0.738035  0.650231  1
  Ni  Ni123  1  0.922192  0.304227  0.596847  1
  Ni  Ni124  1  0.581834  0.804227  0.596847  1
  Ni  Ni125  1  0.584368  0.543455  0.620477  1
  Ni  Ni126  1  0.583753  0.238035  0.650231  1
  Ni  Ni127  1  0.417184  0.885982  0.635651  1
  Ni  Ni128  1  0.421115  0.441606  0.584269  1
  Ni  Ni129  1  0.422436  0.177093  0.608379  1
  Ni  Ni130  1  0.082911  0.941606  0.584269  1
  Ni  Ni131  1  0.081591  0.677093  0.608379  1
  Ni  Ni132  1  0.086843  0.385982  0.635651  1
  Ni  Ni133  1  0.924155  0.186838  0.700030  1
  Ni  Ni134  1  0.896077  0.954165  0.721637  1
  Ni  Ni135  1  0.924116  0.489624  0.672642  1
  Ni  Ni136  1  0.579911  0.989624  0.672642  1
  Ni  Ni137  1  0.579872  0.686838  0.700030  1
  Ni  Ni138  1  0.607950  0.454165  0.721637  1
  Ni  Ni139  1  0.416095  0.083312  0.709255  1
  Ni  Ni140  1  0.422778  0.623024  0.659850  1
  Ni  Ni141  1  0.428234  0.323650  0.689234  1
  Ni  Ni142  1  0.081249  0.123024  0.659850  1
  Ni  Ni143  1  0.075792  0.823650  0.689234  1
  Ni  Ni144  1  0.087931  0.583312  0.709255  1
