# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26190161
_cell_length_b   29.68087323
_cell_length_c   47.22868262
_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   'Zr84 Ni84'
_cell_volume   5974.28483982
_cell_formula_units_Z   84
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  0.751391  0.406897  0.294689  1
  Zr  Zr2  1  0.751391  0.078700  0.273795  1
  Zr  Zr3  1  0.751391  0.730405  0.315489  1
  Zr  Zr4  1  0.251391  0.330588  0.321899  1
  Zr  Zr5  1  0.251391  0.997430  0.301006  1
  Zr  Zr6  1  0.251391  0.664705  0.279996  1
  Zr  Zr7  1  0.751391  0.578700  0.273795  1
  Zr  Zr8  1  0.751391  0.230405  0.315489  1
  Zr  Zr9  1  0.751391  0.906897  0.294689  1
  Zr  Zr10  1  0.251391  0.497430  0.301006  1
  Zr  Zr11  1  0.251391  0.164705  0.279996  1
  Zr  Zr12  1  0.251391  0.830588  0.321899  1
  Zr  Zr13  1  0.751391  0.393684  0.361982  1
  Zr  Zr14  1  0.751391  0.061912  0.339808  1
  Zr  Zr15  1  0.751391  0.725267  0.383328  1
  Zr  Zr16  1  0.251391  0.313482  0.389228  1
  Zr  Zr17  1  0.251391  0.984776  0.368895  1
  Zr  Zr18  1  0.251391  0.656501  0.346945  1
  Zr  Zr19  1  0.751391  0.561912  0.339808  1
  Zr  Zr20  1  0.751391  0.225267  0.383328  1
  Zr  Zr21  1  0.751391  0.893684  0.361982  1
  Zr  Zr22  1  0.251391  0.484776  0.368895  1
  Zr  Zr23  1  0.251391  0.156501  0.346945  1
  Zr  Zr24  1  0.251391  0.813482  0.389228  1
  Zr  Zr25  1  0.751391  0.381856  0.428964  1
  Zr  Zr26  1  0.751391  0.053420  0.407128  1
  Zr  Zr27  1  0.751391  0.711778  0.451140  1
  Zr  Zr28  1  0.251391  0.302848  0.457033  1
  Zr  Zr29  1  0.251391  0.973038  0.435251  1
  Zr  Zr30  1  0.251391  0.644076  0.413283  1
  Zr  Zr31  1  0.751391  0.553420  0.407128  1
  Zr  Zr32  1  0.751391  0.211778  0.451140  1
  Zr  Zr33  1  0.751391  0.881856  0.428964  1
  Zr  Zr34  1  0.251391  0.473038  0.435251  1
  Zr  Zr35  1  0.251391  0.144076  0.413283  1
  Zr  Zr36  1  0.251391  0.802848  0.457033  1
  Zr  Zr37  1  0.751391  0.370752  0.495769  1
  Zr  Zr38  1  0.751391  0.041011  0.473821  1
  Zr  Zr39  1  0.751391  0.700415  0.517864  1
  Zr  Zr40  1  0.251391  0.291827  0.524020  1
  Zr  Zr41  1  0.251391  0.962086  0.502072  1
  Zr  Zr42  1  0.251391  0.632423  0.479978  1
  Zr  Zr43  1  0.751391  0.541011  0.473821  1
  Zr  Zr44  1  0.751391  0.200415  0.517864  1
  Zr  Zr45  1  0.751391  0.870752  0.495769  1
  Zr  Zr46  1  0.251391  0.462086  0.502072  1
  Zr  Zr47  1  0.251391  0.132423  0.479978  1
  Zr  Zr48  1  0.251391  0.791827  0.524020  1
  Zr  Zr49  1  0.751391  0.359800  0.562590  1
  Zr  Zr50  1  0.751391  0.029990  0.540809  1
  Zr  Zr51  1  0.751391  0.688762  0.584558  1
  Zr  Zr52  1  0.251391  0.279417  0.590714  1
  Zr  Zr53  1  0.251391  0.950981  0.568878  1
  Zr  Zr54  1  0.251391  0.621060  0.546701  1
  Zr  Zr55  1  0.751391  0.529990  0.540809  1
  Zr  Zr56  1  0.751391  0.188762  0.584558  1
  Zr  Zr57  1  0.751391  0.859800  0.562590  1
  Zr  Zr58  1  0.251391  0.450981  0.568878  1
  Zr  Zr59  1  0.251391  0.121060  0.546701  1
  Zr  Zr60  1  0.251391  0.779417  0.590714  1
  Zr  Zr61  1  0.751391  0.348061  0.628947  1
  Zr  Zr62  1  0.751391  0.019356  0.608614  1
  Zr  Zr63  1  0.751391  0.676337  0.650897  1
  Zr  Zr64  1  0.251391  0.270925  0.658034  1
  Zr  Zr65  1  0.251391  0.939154  0.635860  1
  Zr  Zr66  1  0.251391  0.607571  0.614513  1
  Zr  Zr67  1  0.751391  0.519356  0.608614  1
  Zr  Zr68  1  0.751391  0.176337  0.650897  1
  Zr  Zr69  1  0.751391  0.848061  0.628947  1
  Zr  Zr70  1  0.251391  0.439154  0.635860  1
  Zr  Zr71  1  0.251391  0.107571  0.614513  1
  Zr  Zr72  1  0.251391  0.770925  0.658034  1
  Zr  Zr73  1  0.751391  0.335408  0.696836  1
  Zr  Zr74  1  0.751391  0.002250  0.675943  1
  Zr  Zr75  1  0.751391  0.668133  0.717845  1
  Zr  Zr76  1  0.251391  0.254138  0.724046  1
  Zr  Zr77  1  0.251391  0.925940  0.703153  1
  Zr  Zr78  1  0.251391  0.602433  0.682352  1
  Zr  Zr79  1  0.751391  0.502250  0.675943  1
  Zr  Zr80  1  0.751391  0.168133  0.717845  1
  Zr  Zr81  1  0.751391  0.835408  0.696836  1
  Zr  Zr82  1  0.251391  0.425940  0.703153  1
  Zr  Zr83  1  0.251391  0.102433  0.682352  1
  Zr  Zr84  1  0.251391  0.754138  0.724046  1
  Ni  Ni85  1  0.751391  0.310762  0.292984  1
  Ni  Ni86  1  0.751391  0.989084  0.273208  1
  Ni  Ni87  1  0.751391  0.639935  0.313922  1
  Ni  Ni88  1  0.251391  0.420306  0.330752  1
  Ni  Ni89  1  0.251391  0.088034  0.309862  1
  Ni  Ni90  1  0.251391  0.758682  0.289723  1
  Ni  Ni91  1  0.751391  0.489084  0.273208  1
  Ni  Ni92  1  0.751391  0.139935  0.313922  1
  Ni  Ni93  1  0.751391  0.810762  0.292984  1
  Ni  Ni94  1  0.251391  0.588034  0.309862  1
  Ni  Ni95  1  0.251391  0.258682  0.289723  1
  Ni  Ni96  1  0.251391  0.920306  0.330752  1
  Ni  Ni97  1  0.751391  0.301584  0.350705  1
  Ni  Ni98  1  0.751391  0.971565  0.332636  1
  Ni  Ni99  1  0.751391  0.631181  0.377986  1
  Ni  Ni100  1  0.251391  0.406077  0.397073  1
  Ni  Ni101  1  0.251391  0.077913  0.374734  1
  Ni  Ni102  1  0.251391  0.750467  0.347400  1
  Ni  Ni103  1  0.751391  0.471565  0.332636  1
  Ni  Ni104  1  0.751391  0.131181  0.377986  1
  Ni  Ni105  1  0.751391  0.801584  0.350705  1
  Ni  Ni106  1  0.251391  0.577913  0.374734  1
  Ni  Ni107  1  0.251391  0.250467  0.347400  1
  Ni  Ni108  1  0.251391  0.906077  0.397073  1
  Ni  Ni109  1  0.751391  0.289609  0.422740  1
  Ni  Ni110  1  0.751391  0.959984  0.400688  1
  Ni  Ni111  1  0.751391  0.619087  0.445678  1
  Ni  Ni112  1  0.251391  0.395402  0.463979  1
  Ni  Ni113  1  0.251391  0.065803  0.441759  1
  Ni  Ni114  1  0.251391  0.736284  0.418683  1
  Ni  Ni115  1  0.751391  0.459984  0.400688  1
  Ni  Ni116  1  0.751391  0.119087  0.445678  1
  Ni  Ni117  1  0.751391  0.789609  0.422740  1
  Ni  Ni118  1  0.251391  0.565803  0.441759  1
  Ni  Ni119  1  0.251391  0.236284  0.418683  1
  Ni  Ni120  1  0.251391  0.895402  0.463979  1
  Ni  Ni121  1  0.751391  0.278363  0.489328  1
  Ni  Ni122  1  0.751391  0.948543  0.467218  1
  Ni  Ni123  1  0.751391  0.607679  0.511978  1
  Ni  Ni124  1  0.251391  0.384295  0.530624  1
  Ni  Ni125  1  0.251391  0.054475  0.508514  1
  Ni  Ni126  1  0.251391  0.725159  0.485864  1
  Ni  Ni127  1  0.751391  0.448543  0.467218  1
  Ni  Ni128  1  0.751391  0.107679  0.511978  1
  Ni  Ni129  1  0.751391  0.778363  0.489328  1
  Ni  Ni130  1  0.251391  0.554475  0.508514  1
  Ni  Ni131  1  0.251391  0.225159  0.485864  1
  Ni  Ni132  1  0.251391  0.884295  0.530624  1
  Ni  Ni133  1  0.751391  0.267034  0.556083  1
  Ni  Ni134  1  0.751391  0.937436  0.533862  1
  Ni  Ni135  1  0.751391  0.596554  0.579158  1
  Ni  Ni136  1  0.251391  0.372853  0.597153  1
  Ni  Ni137  1  0.251391  0.043229  0.575102  1
  Ni  Ni138  1  0.251391  0.713751  0.552164  1
  Ni  Ni139  1  0.751391  0.437436  0.533862  1
  Ni  Ni140  1  0.751391  0.096554  0.579158  1
  Ni  Ni141  1  0.751391  0.767034  0.556083  1
  Ni  Ni142  1  0.251391  0.543229  0.575102  1
  Ni  Ni143  1  0.251391  0.213751  0.552164  1
  Ni  Ni144  1  0.251391  0.872853  0.597153  1
  Ni  Ni145  1  0.751391  0.254925  0.623108  1
  Ni  Ni146  1  0.751391  0.926761  0.600768  1
  Ni  Ni147  1  0.751391  0.582371  0.650442  1
  Ni  Ni148  1  0.251391  0.361273  0.665206  1
  Ni  Ni149  1  0.251391  0.031253  0.647136  1
  Ni  Ni150  1  0.251391  0.701657  0.619856  1
  Ni  Ni151  1  0.751391  0.426761  0.600768  1
  Ni  Ni152  1  0.751391  0.082371  0.650442  1
  Ni  Ni153  1  0.751391  0.754925  0.623108  1
  Ni  Ni154  1  0.251391  0.531253  0.647136  1
  Ni  Ni155  1  0.251391  0.201657  0.619856  1
  Ni  Ni156  1  0.251391  0.861273  0.665206  1
  Ni  Ni157  1  0.751391  0.244804  0.687979  1
  Ni  Ni158  1  0.751391  0.912531  0.667090  1
  Ni  Ni159  1  0.751391  0.574156  0.708118  1
  Ni  Ni160  1  0.251391  0.343753  0.724634  1
  Ni  Ni161  1  0.251391  0.022076  0.704858  1
  Ni  Ni162  1  0.251391  0.692903  0.683920  1
  Ni  Ni163  1  0.751391  0.412531  0.667090  1
  Ni  Ni164  1  0.751391  0.074156  0.708118  1
  Ni  Ni165  1  0.751391  0.744804  0.687979  1
  Ni  Ni166  1  0.251391  0.522076  0.704858  1
  Ni  Ni167  1  0.251391  0.192903  0.683920  1
  Ni  Ni168  1  0.251391  0.843753  0.724634  1
