# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13036753
_cell_length_b   29.83051014
_cell_length_c   46.66756177
_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   'Zr60 Ni60'
_cell_volume   4357.8383963
_cell_formula_units_Z   60
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  1.004679  0.286473  0.319835  1
  Zr  Zr2  1  1.004679  0.613109  0.290826  1
  Zr  Zr3  1  1.004679  0.959167  0.349833  1
  Zr  Zr4  1  0.504679  0.369155  0.358321  1
  Zr  Zr5  1  0.504679  0.695570  0.328306  1
  Zr  Zr6  1  0.504679  0.022405  0.299182  1
  Zr  Zr7  1  0.504679  0.122633  0.335103  1
  Zr  Zr8  1  0.504679  0.449560  0.305809  1
  Zr  Zr9  1  0.504679  0.775912  0.276605  1
  Zr  Zr10  1  1.004679  0.184664  0.284540  1
  Zr  Zr11  1  1.004679  0.532303  0.343187  1
  Zr  Zr12  1  1.004679  0.859203  0.313406  1
  Zr  Zr13  1  1.004679  0.306644  0.410790  1
  Zr  Zr14  1  1.004679  0.632956  0.380514  1
  Zr  Zr15  1  1.004679  0.979976  0.441109  1
  Zr  Zr16  1  0.504679  0.389546  0.449555  1
  Zr  Zr17  1  0.504679  0.716175  0.419252  1
  Zr  Zr18  1  0.504679  0.042502  0.388848  1
  Zr  Zr19  1  0.504679  0.143353  0.426025  1
  Zr  Zr20  1  0.504679  0.469765  0.395615  1
  Zr  Zr21  1  0.504679  0.796609  0.365182  1
  Zr  Zr22  1  1.004679  0.206035  0.373689  1
  Zr  Zr23  1  1.004679  0.552805  0.434395  1
  Zr  Zr24  1  1.004679  0.879444  0.403875  1
  Zr  Zr25  1  1.004679  0.326925  0.501968  1
  Zr  Zr26  1  1.004679  0.653504  0.471553  1
  Zr  Zr27  1  1.004679  1.000358  0.532247  1
  Zr  Zr28  1  0.504679  0.409883  0.540622  1
  Zr  Zr29  1  0.504679  0.736538  0.510309  1
  Zr  Zr30  1  0.504679  0.063014  0.479923  1
  Zr  Zr31  1  0.504679  0.163725  0.517087  1
  Zr  Zr32  1  0.504679  0.490201  0.486701  1
  Zr  Zr33  1  0.504679  0.816856  0.456388  1
  Zr  Zr34  1  1.004679  0.226381  0.464763  1
  Zr  Zr35  1  1.004679  0.573235  0.525457  1
  Zr  Zr36  1  1.004679  0.899814  0.495042  1
  Zr  Zr37  1  1.004679  0.347295  0.593135  1
  Zr  Zr38  1  1.004679  0.673934  0.562615  1
  Zr  Zr39  1  1.004679  0.020704  0.623321  1
  Zr  Zr40  1  0.504679  0.430130  0.631828  1
  Zr  Zr41  1  0.504679  0.756974  0.601395  1
  Zr  Zr42  1  0.504679  0.083386  0.570985  1
  Zr  Zr43  1  0.504679  0.184237  0.608162  1
  Zr  Zr44  1  0.504679  0.510563  0.577758  1
  Zr  Zr45  1  0.504679  0.837193  0.547455  1
  Zr  Zr46  1  1.004679  0.246763  0.555901  1
  Zr  Zr47  1  1.004679  0.593783  0.616496  1
  Zr  Zr48  1  1.004679  0.920095  0.586220  1
  Zr  Zr49  1  1.004679  0.367536  0.683604  1
  Zr  Zr50  1  1.004679  0.694436  0.653823  1
  Zr  Zr51  1  1.004679  0.042075  0.712470  1
  Zr  Zr52  1  0.504679  0.450826  0.720405  1
  Zr  Zr53  1  0.504679  0.777179  0.691201  1
  Zr  Zr54  1  0.504679  0.104106  0.661907  1
  Zr  Zr55  1  0.504679  0.204334  0.697828  1
  Zr  Zr56  1  0.504679  0.531169  0.668704  1
  Zr  Zr57  1  0.504679  0.857584  0.638689  1
  Zr  Zr58  1  1.004679  0.267572  0.647177  1
  Zr  Zr59  1  1.004679  0.613630  0.706184  1
  Zr  Zr60  1  1.004679  0.940266  0.677175  1
  Ni  Ni61  1  1.004679  0.377147  0.311217  1
  Ni  Ni62  1  1.004679  0.703349  0.281236  1
  Ni  Ni63  1  1.004679  0.050948  0.341467  1
  Ni  Ni64  1  0.504679  0.256665  0.276278  1
  Ni  Ni65  1  0.504679  0.603819  0.336537  1
  Ni  Ni66  1  0.504679  0.931786  0.306100  1
  Ni  Ni67  1  0.504679  0.215143  0.326251  1
  Ni  Ni68  1  0.504679  0.540120  0.296118  1
  Ni  Ni69  1  0.504679  0.887836  0.356243  1
  Ni  Ni70  1  1.004679  0.094398  0.291277  1
  Ni  Ni71  1  1.004679  0.440701  0.351613  1
  Ni  Ni72  1  1.004679  0.767724  0.321559  1
  Ni  Ni73  1  1.004679  0.398117  0.402330  1
  Ni  Ni74  1  1.004679  0.724733  0.372178  1
  Ni  Ni75  1  1.004679  0.071637  0.432754  1
  Ni  Ni76  1  0.504679  0.277945  0.366894  1
  Ni  Ni77  1  0.504679  0.624549  0.427846  1
  Ni  Ni78  1  0.504679  0.951045  0.397305  1
  Ni  Ni79  1  0.504679  0.235022  0.417550  1
  Ni  Ni80  1  0.504679  0.561259  0.387205  1
  Ni  Ni81  1  0.504679  0.908328  0.447763  1
  Ni  Ni82  1  1.004679  0.114344  0.382382  1
  Ni  Ni83  1  1.004679  0.461240  0.442989  1
  Ni  Ni84  1  1.004679  0.787919  0.412729  1
  Ni  Ni85  1  1.004679  0.418482  0.493345  1
  Ni  Ni86  1  1.004679  0.745118  0.463046  1
  Ni  Ni87  1  1.004679  0.091974  0.523695  1
  Ni  Ni88  1  0.504679  0.298066  0.458160  1
  Ni  Ni89  1  0.504679  0.644962  0.518823  1
  Ni  Ni90  1  0.504679  0.971483  0.488405  1
  Ni  Ni91  1  0.504679  0.255256  0.508605  1
  Ni  Ni92  1  0.504679  0.581777  0.478187  1
  Ni  Ni93  1  0.504679  0.928673  0.538850  1
  Ni  Ni94  1  1.004679  0.134765  0.473315  1
  Ni  Ni95  1  1.004679  0.481621  0.533964  1
  Ni  Ni96  1  1.004679  0.808257  0.503665  1
  Ni  Ni97  1  1.004679  0.438820  0.584281  1
  Ni  Ni98  1  1.004679  0.765499  0.554021  1
  Ni  Ni99  1  1.004679  0.112395  0.614628  1
  Ni  Ni100  1  0.504679  0.318411  0.549247  1
  Ni  Ni101  1  0.504679  0.665480  0.609805  1
  Ni  Ni102  1  0.504679  0.991717  0.579460  1
  Ni  Ni103  1  0.504679  0.275694  0.599705  1
  Ni  Ni104  1  0.504679  0.602190  0.569164  1
  Ni  Ni105  1  0.504679  0.948794  0.630116  1
  Ni  Ni106  1  1.004679  0.155102  0.564256  1
  Ni  Ni107  1  1.004679  0.502006  0.624832  1
  Ni  Ni108  1  1.004679  0.828622  0.594679  1
  Ni  Ni109  1  1.004679  0.459015  0.675451  1
  Ni  Ni110  1  1.004679  0.786038  0.645397  1
  Ni  Ni111  1  0.004679  0.132341  0.705733  1
  Ni  Ni112  1  0.504679  0.338903  0.640767  1
  Ni  Ni113  1  0.504679  0.686619  0.700891  1
  Ni  Ni114  1  0.504679  0.011596  0.670758  1
  Ni  Ni115  1  0.504679  0.294953  0.690910  1
  Ni  Ni116  1  0.504679  0.622920  0.660473  1
  Ni  Ni117  1  0.504679  0.970074  0.720732  1
  Ni  Ni118  1  1.004679  0.175791  0.655543  1
  Ni  Ni119  1  1.004679  0.523390  0.715774  1
  Ni  Ni120  1  1.004679  0.849592  0.685793  1
