# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.93189749
_cell_length_b   5.26979726
_cell_length_c   47.07696553
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.99066428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr64 Ni64'
_cell_volume   4907.86976115
_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  0.220674  0.232950  0.311083  1
  Zr  Zr2  1  0.730839  0.449686  0.283697  1
  Zr  Zr3  1  0.330729  0.689070  0.316454  1
  Zr  Zr4  1  0.839239  0.900601  0.289759  1
  Zr  Zr5  1  0.966221  0.129779  0.324161  1
  Zr  Zr6  1  0.475486  0.343115  0.297351  1
  Zr  Zr7  1  0.077043  0.580076  0.330388  1
  Zr  Zr8  1  0.585604  0.798964  0.302718  1
  Zr  Zr9  1  0.203854  0.781054  0.363800  1
  Zr  Zr10  1  0.712282  0.006372  0.336555  1
  Zr  Zr11  1  0.314787  0.227848  0.369834  1
  Zr  Zr12  1  0.823286  0.456096  0.342814  1
  Zr  Zr13  1  0.949593  0.663914  0.377325  1
  Zr  Zr14  1  0.457968  0.892693  0.350020  1
  Zr  Zr15  1  0.060516  0.113174  0.383504  1
  Zr  Zr16  1  0.569037  0.339790  0.356130  1
  Zr  Zr17  1  0.186625  0.324214  0.419709  1
  Zr  Zr18  1  0.695195  0.549797  0.392225  1
  Zr  Zr19  1  0.296457  0.774443  0.426205  1
  Zr  Zr20  1  0.805417  0.999219  0.398417  1
  Zr  Zr21  1  0.932341  0.211717  0.433868  1
  Zr  Zr22  1  0.440928  0.437141  0.405939  1
  Zr  Zr23  1  0.042099  0.661213  0.439996  1
  Zr  Zr24  1  0.550736  0.887382  0.412465  1
  Zr  Zr25  1  0.168798  0.871723  0.475642  1
  Zr  Zr26  1  0.677593  0.098057  0.448089  1
  Zr  Zr27  1  0.278986  0.320728  0.481837  1
  Zr  Zr28  1  0.787705  0.547327  0.454253  1
  Zr  Zr29  1  0.914392  0.758108  0.489500  1
  Zr  Zr30  1  0.423121  0.984881  0.461903  1
  Zr  Zr31  1  0.024721  0.207306  0.495683  1
  Zr  Zr32  1  0.533304  0.433816  0.468084  1
  Zr  Zr33  1  0.151270  0.417496  0.531211  1
  Zr  Zr34  1  0.659853  0.644006  0.503612  1
  Zr  Zr35  1  0.261453  0.866430  0.537392  1
  Zr  Zr36  1  0.770182  0.093204  0.509796  1
  Zr  Zr37  1  0.896869  0.303984  0.545043  1
  Zr  Zr38  1  0.405588  0.530583  0.517458  1
  Zr  Zr39  1  0.006981  0.753254  0.551207  1
  Zr  Zr40  1  0.515776  0.979589  0.523654  1
  Zr  Zr41  1  0.133838  0.963929  0.586830  1
  Zr  Zr42  1  0.642475  0.190098  0.559300  1
  Zr  Zr43  1  0.243646  0.414170  0.593356  1
  Zr  Zr44  1  0.752233  0.639594  0.565428  1
  Zr  Zr45  1  0.879157  0.852093  0.600878  1
  Zr  Zr46  1  0.388117  0.076868  0.573091  1
  Zr  Zr47  1  0.989379  0.301515  0.607070  1
  Zr  Zr48  1  0.497949  0.527098  0.579587  1
  Zr  Zr49  1  0.115537  0.511522  0.643166  1
  Zr  Zr50  1  0.624058  0.738138  0.615792  1
  Zr  Zr51  1  0.226606  0.958619  0.649276  1
  Zr  Zr52  1  0.734981  0.187397  0.621971  1
  Zr  Zr53  1  0.861288  0.395215  0.656482  1
  Zr  Zr54  1  0.369787  0.623463  0.629462  1
  Zr  Zr55  1  0.972292  0.844939  0.662741  1
  Zr  Zr56  1  0.480720  0.070257  0.635495  1
  Zr  Zr57  1  0.098970  0.052347  0.696578  1
  Zr  Zr58  1  0.607531  0.271235  0.668907  1
  Zr  Zr59  1  0.209088  0.508197  0.701945  1
  Zr  Zr60  1  0.718353  0.721532  0.675135  1
  Zr  Zr61  1  0.845335  0.950711  0.709536  1
  Zr  Zr62  1  0.353845  0.162241  0.682841  1
  Zr  Zr63  1  0.953735  0.401626  0.715599  1
  Zr  Zr64  1  0.463900  0.618361  0.688212  1
  Ni  Ni65  1  0.359482  0.171280  0.315221  1
  Ni  Ni66  1  0.869869  0.381931  0.288855  1
  Ni  Ni67  1  0.191914  0.741437  0.306699  1
  Ni  Ni68  1  0.701830  0.957296  0.279508  1
  Ni  Ni69  1  0.105364  0.062726  0.329079  1
  Ni  Ni70  1  0.614242  0.281070  0.301471  1
  Ni  Ni71  1  0.939733  0.636436  0.319772  1
  Ni  Ni72  1  0.446936  0.850946  0.293074  1
  Ni  Ni73  1  0.342901  0.714526  0.372601  1
  Ni  Ni74  1  0.852924  0.943833  0.344249  1
  Ni  Ni75  1  0.174574  0.296210  0.362200  1
  Ni  Ni76  1  0.682792  0.520642  0.334599  1
  Ni  Ni77  1  0.088227  0.601088  0.386351  1
  Ni  Ni78  1  0.597030  0.826996  0.358904  1
  Ni  Ni79  1  0.921156  0.177759  0.377066  1
  Ni  Ni80  1  0.428737  0.407815  0.348292  1
  Ni  Ni81  1  0.325344  0.261126  0.427685  1
  Ni  Ni82  1  0.833958  0.485716  0.400502  1
  Ni  Ni83  1  0.157784  0.837064  0.418511  1
  Ni  Ni84  1  0.666417  0.062954  0.391129  1
  Ni  Ni85  1  0.071039  0.147888  0.441422  1
  Ni  Ni86  1  0.579615  0.374004  0.413954  1
  Ni  Ni87  1  0.903516  0.724889  0.432068  1
  Ni  Ni88  1  0.412147  0.950393  0.404788  1
  Ni  Ni89  1  0.307769  0.807191  0.483442  1
  Ni  Ni90  1  0.816687  0.034102  0.455593  1
  Ni  Ni91  1  0.140127  0.385069  0.473718  1
  Ni  Ni92  1  0.648803  0.611382  0.446179  1
  Ni  Ni93  1  0.053417  0.693885  0.497243  1
  Ni  Ni94  1  0.562094  0.920530  0.469673  1
  Ni  Ni95  1  0.885715  0.271325  0.487838  1
  Ni  Ni96  1  0.394467  0.498195  0.459950  1
  Ni  Ni97  1  0.290107  0.353117  0.539345  1
  Ni  Ni98  1  0.798859  0.579987  0.511458  1
  Ni  Ni99  1  0.122480  0.930782  0.529622  1
  Ni  Ni100  1  0.631157  0.157426  0.502053  1
  Ni  Ni101  1  0.035771  0.239930  0.553117  1
  Ni  Ni102  1  0.544447  0.466242  0.525577  1
  Ni  Ni103  1  0.867887  0.817210  0.543702  1
  Ni  Ni104  1  0.376805  0.044120  0.515853  1
  Ni  Ni105  1  0.272427  0.900918  0.594507  1
  Ni  Ni106  1  0.781058  0.126423  0.567228  1
  Ni  Ni107  1  0.104959  0.477308  0.585342  1
  Ni  Ni108  1  0.613535  0.703424  0.557874  1
  Ni  Ni109  1  0.018157  0.788357  0.608166  1
  Ni  Ni110  1  0.526790  0.014247  0.580785  1
  Ni  Ni111  1  0.850616  0.365595  0.598794  1
  Ni  Ni112  1  0.359230  0.590186  0.571611  1
  Ni  Ni113  1  0.255837  0.443497  0.651003  1
  Ni  Ni114  1  0.763418  0.673552  0.622230  1
  Ni  Ni115  1  0.087544  0.024315  0.640391  1
  Ni  Ni116  1  0.596347  0.250223  0.612945  1
  Ni  Ni117  1  0.001782  0.330670  0.664696  1
  Ni  Ni118  1  0.510000  0.555102  0.637096  1
  Ni  Ni119  1  0.831650  0.907478  0.655047  1
  Ni  Ni120  1  0.341673  0.136785  0.626694  1
  Ni  Ni121  1  0.237638  1.000365  0.706222  1
  Ni  Ni122  1  0.744841  0.214875  0.679524  1
  Ni  Ni123  1  0.070332  0.570242  0.697825  1
  Ni  Ni124  1  0.579210  0.788586  0.670216  1
  Ni  Ni125  1  0.982744  0.894015  0.719788  1
  Ni  Ni126  1  0.492660  0.109874  0.692597  1
  Ni  Ni127  1  0.814705  0.469381  0.710441  1
  Ni  Ni128  1  0.325092  0.680031  0.684075  1
