# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79289448
_cell_length_b   13.15449143
_cell_length_c   49.49246272
_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   6375.64609719
_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  0.636617  0.829437  0.284050  1
  Zr  Zr2  1  0.637981  0.138698  0.300952  1
  Zr  Zr3  1  0.652706  0.461379  0.323519  1
  Zr  Zr4  1  0.853983  0.961379  0.323519  1
  Zr  Zr5  1  0.870073  0.329437  0.284050  1
  Zr  Zr6  1  0.868709  0.638698  0.300952  1
  Zr  Zr7  1  0.150064  0.792844  0.310940  1
  Zr  Zr8  1  0.143403  0.114464  0.333173  1
  Zr  Zr9  1  0.138352  0.483810  0.293639  1
  Zr  Zr10  1  0.368338  0.983810  0.293639  1
  Zr  Zr11  1  0.356625  0.292844  0.310940  1
  Zr  Zr12  1  0.363286  0.614464  0.333173  1
  Zr  Zr13  1  0.650837  0.766825  0.343703  1
  Zr  Zr14  1  0.640877  0.087062  0.366025  1
  Zr  Zr15  1  0.638137  0.395272  0.385701  1
  Zr  Zr16  1  0.868553  0.895272  0.385701  1
  Zr  Zr17  1  0.855853  0.266825  0.343703  1
  Zr  Zr18  1  0.865813  0.587062  0.366025  1
  Zr  Zr19  1  0.138468  0.742086  0.375437  1
  Zr  Zr20  1  0.141268  0.054155  0.396273  1
  Zr  Zr21  1  0.149905  0.427139  0.354518  1
  Zr  Zr22  1  0.356785  0.927139  0.354518  1
  Zr  Zr23  1  0.368222  0.242086  0.375437  1
  Zr  Zr24  1  0.365422  0.554155  0.396273  1
  Zr  Zr25  1  0.639004  0.712461  0.407246  1
  Zr  Zr26  1  0.642037  0.021331  0.427506  1
  Zr  Zr27  1  0.641485  0.339490  0.449449  1
  Zr  Zr28  1  0.865204  0.839490  0.449449  1
  Zr  Zr29  1  0.867685  0.212461  0.407246  1
  Zr  Zr30  1  0.864653  0.521331  0.427506  1
  Zr  Zr31  1  0.144139  0.681170  0.438650  1
  Zr  Zr32  1  0.140433  0.993522  0.459137  1
  Zr  Zr33  1  0.137884  0.365774  0.417063  1
  Zr  Zr34  1  0.368805  0.865774  0.417063  1
  Zr  Zr35  1  0.362551  0.181170  0.438650  1
  Zr  Zr36  1  0.366256  0.493522  0.459137  1
  Zr  Zr37  1  0.643600  0.649452  0.469504  1
  Zr  Zr38  1  0.640258  0.966900  0.491072  1
  Zr  Zr39  1  0.643509  0.277741  0.511271  1
  Zr  Zr40  1  0.863181  0.777741  0.511271  1
  Zr  Zr41  1  0.863090  0.149452  0.469504  1
  Zr  Zr42  1  0.866432  0.466900  0.491072  1
  Zr  Zr43  1  0.140258  0.620849  0.500716  1
  Zr  Zr44  1  0.143600  0.938296  0.522284  1
  Zr  Zr45  1  0.143509  0.310007  0.480517  1
  Zr  Zr46  1  0.363181  0.810007  0.480517  1
  Zr  Zr47  1  0.366432  0.120849  0.500716  1
  Zr  Zr48  1  0.363090  0.438296  0.522284  1
  Zr  Zr49  1  0.640433  0.594226  0.532651  1
  Zr  Zr50  1  0.644139  0.906578  0.553137  1
  Zr  Zr51  1  0.637884  0.221974  0.574724  1
  Zr  Zr52  1  0.868805  0.721974  0.574724  1
  Zr  Zr53  1  0.866256  0.094226  0.532651  1
  Zr  Zr54  1  0.862551  0.406578  0.553137  1
  Zr  Zr55  1  0.142037  0.566417  0.564281  1
  Zr  Zr56  1  0.139004  0.875287  0.584541  1
  Zr  Zr57  1  0.141485  0.248258  0.542338  1
  Zr  Zr58  1  0.365204  0.748258  0.542338  1
  Zr  Zr59  1  0.364653  0.066417  0.564281  1
  Zr  Zr60  1  0.367685  0.375287  0.584541  1
  Zr  Zr61  1  0.641268  0.533593  0.595514  1
  Zr  Zr62  1  0.638468  0.845662  0.616351  1
  Zr  Zr63  1  0.649905  0.160609  0.637270  1
  Zr  Zr64  1  0.856785  0.660609  0.637270  1
  Zr  Zr65  1  0.865422  0.033593  0.595514  1
  Zr  Zr66  1  0.868222  0.345662  0.616351  1
  Zr  Zr67  1  0.140877  0.500686  0.625763  1
  Zr  Zr68  1  0.150837  0.820924  0.648084  1
  Zr  Zr69  1  0.138137  0.192476  0.606086  1
  Zr  Zr70  1  0.368553  0.692476  0.606086  1
  Zr  Zr71  1  0.365813  1.000686  0.625763  1
  Zr  Zr72  1  0.355853  0.320924  0.648084  1
  Zr  Zr73  1  0.643403  0.473284  0.658614  1
  Zr  Zr74  1  0.650064  0.794904  0.680847  1
  Zr  Zr75  1  0.638352  0.103938  0.698149  1
  Zr  Zr76  1  0.868338  0.603938  0.698149  1
  Zr  Zr77  1  0.863286  0.973284  0.658614  1
  Zr  Zr78  1  0.856625  0.294904  0.680847  1
  Zr  Zr79  1  0.137981  0.449050  0.690835  1
  Zr  Zr80  1  0.136617  0.758311  0.707738  1
  Zr  Zr81  1  0.152706  0.126369  0.668269  1
  Zr  Zr82  1  0.353983  0.626369  0.668269  1
  Zr  Zr83  1  0.368709  0.949050  0.690835  1
  Zr  Zr84  1  0.370073  0.258311  0.707738  1
  Ni  Ni85  1  0.912962  0.827268  0.288067  1
  Ni  Ni86  1  0.924994  0.139978  0.303477  1
  Ni  Ni87  1  0.926599  0.453792  0.326651  1
  Ni  Ni88  1  0.580091  0.953792  0.326651  1
  Ni  Ni89  1  0.593728  0.327268  0.288067  1
  Ni  Ni90  1  0.581695  0.639978  0.303477  1
  Ni  Ni91  1  0.425232  0.796323  0.315853  1
  Ni  Ni92  1  0.423827  0.111873  0.335241  1
  Ni  Ni93  1  0.421056  0.477148  0.297443  1
  Ni  Ni94  1  0.085633  0.977148  0.297443  1
  Ni  Ni95  1  0.081458  0.296323  0.315853  1
  Ni  Ni96  1  0.082863  0.611873  0.335241  1
  Ni  Ni97  1  0.926776  0.772893  0.339971  1
  Ni  Ni98  1  0.924272  0.083546  0.365121  1
  Ni  Ni99  1  0.922120  0.399277  0.383414  1
  Ni  Ni100  1  0.584570  0.899277  0.383414  1
  Ni  Ni101  1  0.579913  0.272893  0.339971  1
  Ni  Ni102  1  0.582418  0.583546  0.365121  1
  Ni  Ni103  1  0.422963  0.742008  0.373637  1
  Ni  Ni104  1  0.421945  0.053916  0.397058  1
  Ni  Ni105  1  0.425604  0.428092  0.350579  1
  Ni  Ni106  1  0.081086  0.928092  0.350579  1
  Ni  Ni107  1  0.083726  0.242008  0.373637  1
  Ni  Ni108  1  0.084745  0.553916  0.397058  1
  Ni  Ni109  1  0.921665  0.709213  0.409338  1
  Ni  Ni110  1  0.922581  0.024548  0.426720  1
  Ni  Ni111  1  0.922431  0.336169  0.450570  1
  Ni  Ni112  1  0.584259  0.836169  0.450570  1
  Ni  Ni113  1  0.585025  0.209213  0.409338  1
  Ni  Ni114  1  0.584109  0.524548  0.426720  1
  Ni  Ni115  1  0.423440  0.679644  0.439561  1
  Ni  Ni116  1  0.422675  0.994738  0.458398  1
  Ni  Ni117  1  0.421174  0.366550  0.418087  1
  Ni  Ni118  1  0.085516  0.866550  0.418087  1
  Ni  Ni119  1  0.083250  0.179644  0.439561  1
  Ni  Ni120  1  0.084015  0.494738  0.458398  1
  Ni  Ni121  1  0.923326  0.652223  0.468322  1
  Ni  Ni122  1  0.922411  0.964483  0.491962  1
  Ni  Ni123  1  0.923121  0.279863  0.510590  1
  Ni  Ni124  1  0.583569  0.779863  0.510590  1
  Ni  Ni125  1  0.583364  0.152223  0.468322  1
  Ni  Ni126  1  0.584278  0.464483  0.491962  1
  Ni  Ni127  1  0.422411  0.623265  0.499825  1
  Ni  Ni128  1  0.423326  0.935525  0.523465  1
  Ni  Ni129  1  0.423121  0.307885  0.481197  1
  Ni  Ni130  1  0.083569  0.807885  0.481197  1
  Ni  Ni131  1  0.084278  0.123265  0.499825  1
  Ni  Ni132  1  0.083364  0.435525  0.523465  1
  Ni  Ni133  1  0.922675  0.593010  0.533390  1
  Ni  Ni134  1  0.923440  0.908104  0.552227  1
  Ni  Ni135  1  0.921174  0.221198  0.573701  1
  Ni  Ni136  1  0.585516  0.721198  0.573701  1
  Ni  Ni137  1  0.584015  0.093010  0.533390  1
  Ni  Ni138  1  0.583250  0.408104  0.552227  1
  Ni  Ni139  1  0.422581  0.563200  0.565068  1
  Ni  Ni140  1  0.421665  0.878535  0.582450  1
  Ni  Ni141  1  0.422431  0.251579  0.541218  1
  Ni  Ni142  1  0.084259  0.751579  0.541218  1
  Ni  Ni143  1  0.084109  0.063200  0.565068  1
  Ni  Ni144  1  0.085025  0.378535  0.582450  1
  Ni  Ni145  1  0.921945  0.533833  0.594729  1
  Ni  Ni146  1  0.922963  0.845740  0.618151  1
  Ni  Ni147  1  0.925604  0.159656  0.641208  1
  Ni  Ni148  1  0.581086  0.659656  0.641208  1
  Ni  Ni149  1  0.584745  0.033833  0.594729  1
  Ni  Ni150  1  0.583726  0.345740  0.618151  1
  Ni  Ni151  1  0.424272  0.504202  0.626667  1
  Ni  Ni152  1  0.426776  0.814855  0.651816  1
  Ni  Ni153  1  0.422120  0.188471  0.608374  1
  Ni  Ni154  1  0.084570  0.688471  0.608374  1
  Ni  Ni155  1  0.082418  0.004202  0.626667  1
  Ni  Ni156  1  0.079913  0.314855  0.651816  1
  Ni  Ni157  1  0.923827  0.475875  0.656547  1
  Ni  Ni158  1  0.925232  0.791425  0.675935  1
  Ni  Ni159  1  0.921056  0.110600  0.694344  1
  Ni  Ni160  1  0.585633  0.610600  0.694344  1
  Ni  Ni161  1  0.582863  0.975875  0.656547  1
  Ni  Ni162  1  0.581458  0.291425  0.675935  1
  Ni  Ni163  1  0.424994  0.447770  0.688310  1
  Ni  Ni164  1  0.412962  0.760481  0.703720  1
  Ni  Ni165  1  0.426599  0.133956  0.665137  1
  Ni  Ni166  1  0.080091  0.633956  0.665137  1
  Ni  Ni167  1  0.081695  0.947770  0.688310  1
  Ni  Ni168  1  0.093728  0.260481  0.703720  1
