# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.87479314
_cell_length_b   9.08789226
_cell_length_c   47.09868654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.85495677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr112 Ni112'
_cell_volume   8494.15098096
_cell_formula_units_Z   112
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  0.707730  0.051817  0.304790  1
  Zr  Zr2  1  0.207730  0.551817  0.304790  1
  Zr  Zr3  1  0.209714  0.003194  0.334743  1
  Zr  Zr4  1  0.709714  0.503194  0.334743  1
  Zr  Zr5  1  0.826975  0.307888  0.296994  1
  Zr  Zr6  1  0.326975  0.807888  0.296994  1
  Zr  Zr7  1  0.309332  0.270830  0.328853  1
  Zr  Zr8  1  0.809332  0.770830  0.328853  1
  Zr  Zr9  1  0.456773  0.013017  0.317601  1
  Zr  Zr10  1  0.956773  0.513017  0.317601  1
  Zr  Zr11  1  0.966954  0.089582  0.292085  1
  Zr  Zr12  1  0.466954  0.589582  0.292085  1
  Zr  Zr13  1  0.562235  0.279989  0.311180  1
  Zr  Zr14  1  0.062235  0.779989  0.311180  1
  Zr  Zr15  1  0.086920  0.344259  0.284335  1
  Zr  Zr16  1  0.586920  0.844259  0.284335  1
  Zr  Zr17  1  0.690077  0.943389  0.369191  1
  Zr  Zr18  1  0.190077  0.443389  0.369191  1
  Zr  Zr19  1  0.176538  0.875982  0.399463  1
  Zr  Zr20  1  0.676538  0.375982  0.399463  1
  Zr  Zr21  1  0.799943  0.207197  0.359271  1
  Zr  Zr22  1  0.299943  0.707197  0.359271  1
  Zr  Zr23  1  0.296858  0.142883  0.390905  1
  Zr  Zr24  1  0.796858  0.642883  0.390905  1
  Zr  Zr25  1  0.433253  0.915157  0.384259  1
  Zr  Zr26  1  0.933253  0.415157  0.384259  1
  Zr  Zr27  1  0.950159  0.963772  0.352240  1
  Zr  Zr28  1  0.450159  0.463772  0.352240  1
  Zr  Zr29  1  0.551576  0.174621  0.376161  1
  Zr  Zr30  1  0.051576  0.674621  0.376161  1
  Zr  Zr31  1  0.054635  0.236011  0.345818  1
  Zr  Zr32  1  0.554635  0.736011  0.345818  1
  Zr  Zr33  1  0.668552  0.808419  0.430870  1
  Zr  Zr34  1  0.168552  0.308419  0.430870  1
  Zr  Zr35  1  0.157771  0.752136  0.463231  1
  Zr  Zr36  1  0.657771  0.252136  0.463231  1
  Zr  Zr37  1  0.785577  0.078814  0.422632  1
  Zr  Zr38  1  0.285577  0.578814  0.422632  1
  Zr  Zr39  1  0.270424  0.018410  0.454560  1
  Zr  Zr40  1  0.770424  0.518410  0.454560  1
  Zr  Zr41  1  0.412319  0.778032  0.446351  1
  Zr  Zr42  1  0.912319  0.278032  0.446351  1
  Zr  Zr43  1  0.922729  0.843943  0.415005  1
  Zr  Zr44  1  0.422729  0.343943  0.415005  1
  Zr  Zr45  1  0.525639  0.047990  0.438778  1
  Zr  Zr46  1  0.025639  0.547990  0.438778  1
  Zr  Zr47  1  0.041174  0.106791  0.406884  1
  Zr  Zr48  1  0.541174  0.606791  0.406884  1
  Zr  Zr49  1  0.645115  0.694501  0.494538  1
  Zr  Zr50  1  0.145115  0.194501  0.494538  1
  Zr  Zr51  1  0.135961  0.632096  0.525089  1
  Zr  Zr52  1  0.635961  0.132096  0.525089  1
  Zr  Zr53  1  0.759651  0.956912  0.485383  1
  Zr  Zr54  1  0.259651  0.456912  0.485383  1
  Zr  Zr55  1  0.250134  0.899973  0.516702  1
  Zr  Zr56  1  0.750134  0.399973  0.516702  1
  Zr  Zr57  1  0.391481  0.664811  0.510223  1
  Zr  Zr58  1  0.891481  0.164811  0.510223  1
  Zr  Zr59  1  0.900999  0.721750  0.478904  1
  Zr  Zr60  1  0.400999  0.221750  0.478904  1
  Zr  Zr61  1  0.506018  0.927223  0.501067  1
  Zr  Zr62  1  0.006018  0.427223  0.501067  1
  Zr  Zr63  1  0.015171  0.989627  0.470516  1
  Zr  Zr64  1  0.515171  0.489627  0.470516  1
  Zr  Zr65  1  0.625493  0.573733  0.556827  1
  Zr  Zr66  1  0.125493  0.073733  0.556827  1
  Zr  Zr67  1  0.109958  0.514932  0.588722  1
  Zr  Zr68  1  0.609958  0.014932  0.588722  1
  Zr  Zr69  1  0.738813  0.843692  0.549254  1
  Zr  Zr70  1  0.238813  0.343692  0.549254  1
  Zr  Zr71  1  0.228403  0.777780  0.580601  1
  Zr  Zr72  1  0.728403  0.277780  0.580601  1
  Zr  Zr73  1  0.365555  0.542909  0.572974  1
  Zr  Zr74  1  0.865555  0.042909  0.572974  1
  Zr  Zr75  1  0.880708  0.603314  0.541045  1
  Zr  Zr76  1  0.380708  0.103314  0.541045  1
  Zr  Zr77  1  0.482580  0.813304  0.564736  1
  Zr  Zr78  1  0.982580  0.313304  0.564736  1
  Zr  Zr79  1  0.993361  0.869587  0.532374  1
  Zr  Zr80  1  0.493361  0.369587  0.532374  1
  Zr  Zr81  1  0.599557  0.447103  0.619445  1
  Zr  Zr82  1  0.099557  0.947103  0.619445  1
  Zr  Zr83  1  0.096497  0.385712  0.649788  1
  Zr  Zr84  1  0.596497  0.885712  0.649788  1
  Zr  Zr85  1  0.717879  0.706566  0.611347  1
  Zr  Zr86  1  0.217879  0.206566  0.611347  1
  Zr  Zr87  1  0.200973  0.657951  0.643366  1
  Zr  Zr88  1  0.700973  0.157951  0.643366  1
  Zr  Zr89  1  0.351189  0.414527  0.636335  1
  Zr  Zr90  1  0.851189  0.914527  0.636335  1
  Zr  Zr91  1  0.854275  0.478840  0.604700  1
  Zr  Zr92  1  0.354275  0.978840  0.604700  1
  Zr  Zr93  1  0.461056  0.678335  0.626415  1
  Zr  Zr94  1  0.961056  0.178335  0.626415  1
  Zr  Zr95  1  0.974594  0.745741  0.596143  1
  Zr  Zr96  1  0.474594  0.245741  0.596143  1
  Zr  Zr97  1  0.588897  0.341734  0.684426  1
  Zr  Zr98  1  0.088897  0.841734  0.684426  1
  Zr  Zr99  1  0.064213  0.277464  0.711271  1
  Zr  Zr100  1  0.564213  0.777464  0.711271  1
  Zr  Zr101  1  0.694359  0.608707  0.678004  1
  Zr  Zr102  1  0.194359  0.108707  0.678004  1
  Zr  Zr103  1  0.184179  0.532141  0.703520  1
  Zr  Zr104  1  0.684179  0.032141  0.703520  1
  Zr  Zr105  1  0.324158  0.313835  0.698612  1
  Zr  Zr106  1  0.824158  0.813835  0.698612  1
  Zr  Zr107  1  0.841800  0.350894  0.666753  1
  Zr  Zr108  1  0.341800  0.850894  0.666753  1
  Zr  Zr109  1  0.443402  0.569906  0.690816  1
  Zr  Zr110  1  0.943402  0.069906  0.690816  1
  Zr  Zr111  1  0.941418  0.618530  0.660863  1
  Zr  Zr112  1  0.441418  0.118530  0.660863  1
  Ni  Ni113  1  0.846832  0.031621  0.317892  1
  Ni  Ni114  1  0.346832  0.531621  0.317892  1
  Ni  Ni115  1  0.346100  0.086962  0.290455  1
  Ni  Ni116  1  0.846100  0.586962  0.290455  1
  Ni  Ni117  1  0.687382  0.330942  0.294406  1
  Ni  Ni118  1  0.187382  0.830942  0.294406  1
  Ni  Ni119  1  0.173323  0.274334  0.323649  1
  Ni  Ni120  1  0.673323  0.774334  0.323649  1
  Ni  Ni121  1  0.591218  0.003930  0.332471  1
  Ni  Ni122  1  0.091218  0.503930  0.332471  1
  Ni  Ni123  1  0.099620  0.056303  0.304752  1
  Ni  Ni124  1  0.599620  0.556303  0.304752  1
  Ni  Ni125  1  0.425627  0.298991  0.306170  1
  Ni  Ni126  1  0.925627  0.798991  0.306170  1
  Ni  Ni127  1  0.919089  0.243188  0.337942  1
  Ni  Ni128  1  0.419089  0.743188  0.337942  1
  Ni  Ni129  1  0.830134  0.923094  0.375542  1
  Ni  Ni130  1  0.330134  0.423094  0.375542  1
  Ni  Ni131  1  0.342441  0.983665  0.343586  1
  Ni  Ni132  1  0.842441  0.483665  0.343586  1
  Ni  Ni133  1  0.665840  0.228180  0.346358  1
  Ni  Ni134  1  0.165840  0.728180  0.346358  1
  Ni  Ni135  1  0.159931  0.164730  0.378591  1
  Ni  Ni136  1  0.659931  0.664730  0.378591  1
  Ni  Ni137  1  0.572177  0.887756  0.393996  1
  Ni  Ni138  1  0.072177  0.387756  0.393996  1
  Ni  Ni139  1  0.088118  0.953895  0.356907  1
  Ni  Ni140  1  0.588118  0.453895  0.356907  1
  Ni  Ni141  1  0.416246  0.196105  0.360268  1
  Ni  Ni142  1  0.916246  0.696105  0.360268  1
  Ni  Ni143  1  0.903607  0.136079  0.394291  1
  Ni  Ni144  1  0.403607  0.636079  0.394291  1
  Ni  Ni145  1  0.805569  0.794453  0.440461  1
  Ni  Ni146  1  0.305569  0.294453  0.440461  1
  Ni  Ni147  1  0.315070  0.856297  0.409535  1
  Ni  Ni148  1  0.815070  0.356297  0.409535  1
  Ni  Ni149  1  0.645862  0.093854  0.416439  1
  Ni  Ni150  1  0.145862  0.593854  0.416439  1
  Ni  Ni151  1  0.133385  0.032341  0.446874  1
  Ni  Ni152  1  0.633385  0.532341  0.446874  1
  Ni  Ni153  1  0.550016  0.765104  0.455194  1
  Ni  Ni154  1  0.050016  0.265104  0.455194  1
  Ni  Ni155  1  0.059619  0.822723  0.426665  1
  Ni  Ni156  1  0.559619  0.322723  0.426665  1
  Ni  Ni157  1  0.388368  0.062831  0.431603  1
  Ni  Ni158  1  0.888368  0.562831  0.431603  1
  Ni  Ni159  1  0.878476  0.002111  0.462563  1
  Ni  Ni160  1  0.378476  0.502111  0.462563  1
  Ni  Ni161  1  0.782515  0.674682  0.504373  1
  Ni  Ni162  1  0.282515  0.174682  0.504373  1
  Ni  Ni163  1  0.295032  0.733341  0.472251  1
  Ni  Ni164  1  0.795032  0.233341  0.472251  1
  Ni  Ni165  1  0.623269  0.976960  0.475327  1
  Ni  Ni166  1  0.123269  0.476960  0.475327  1
  Ni  Ni167  1  0.112225  0.916612  0.508140  1
  Ni  Ni168  1  0.612225  0.416612  0.508140  1
  Ni  Ni169  1  0.527863  0.644763  0.520278  1
  Ni  Ni170  1  0.027863  0.144763  0.520278  1
  Ni  Ni171  1  0.038907  0.705111  0.487466  1
  Ni  Ni172  1  0.538907  0.205111  0.487466  1
  Ni  Ni173  1  0.368617  0.947041  0.491232  1
  Ni  Ni174  1  0.868617  0.447041  0.491232  1
  Ni  Ni175  1  0.856101  0.888382  0.523354  1
  Ni  Ni176  1  0.356101  0.388382  0.523354  1
  Ni  Ni177  1  0.762764  0.558892  0.564003  1
  Ni  Ni178  1  0.262764  0.058892  0.564003  1
  Ni  Ni179  1  0.272657  0.619612  0.533043  1
  Ni  Ni180  1  0.772657  0.119612  0.533043  1
  Ni  Ni181  1  0.601116  0.856619  0.540412  1
  Ni  Ni182  1  0.101116  0.356619  0.540412  1
  Ni  Ni183  1  0.091513  0.799000  0.568941  1
  Ni  Ni184  1  0.591513  0.299000  0.568941  1
  Ni  Ni185  1  0.505270  0.527869  0.579167  1
  Ni  Ni186  1  0.005270  0.027869  0.579167  1
  Ni  Ni187  1  0.017747  0.589382  0.548732  1
  Ni  Ni188  1  0.517747  0.089382  0.548732  1
  Ni  Ni189  1  0.345563  0.827271  0.555145  1
  Ni  Ni190  1  0.845563  0.327271  0.555145  1
  Ni  Ni191  1  0.836063  0.765426  0.586070  1
  Ni  Ni192  1  0.336063  0.265426  0.586070  1
  Ni  Ni193  1  0.734886  0.425618  0.635337  1
  Ni  Ni194  1  0.234886  0.925618  0.635337  1
  Ni  Ni195  1  0.247526  0.485644  0.601315  1
  Ni  Ni196  1  0.747526  0.985644  0.601315  1
  Ni  Ni197  1  0.578956  0.733967  0.601610  1
  Ni  Ni198  1  0.078956  0.233967  0.601610  1
  Ni  Ni199  1  0.063014  0.667828  0.638698  1
  Ni  Ni200  1  0.563014  0.167828  0.638698  1
  Ni  Ni201  1  0.485292  0.393543  0.649248  1
  Ni  Ni202  1  0.985292  0.893543  0.649248  1
  Ni  Ni203  1  0.991201  0.456994  0.617015  1
  Ni  Ni204  1  0.491201  0.956994  0.617015  1
  Ni  Ni205  1  0.320998  0.698629  0.620064  1
  Ni  Ni206  1  0.820998  0.198629  0.620064  1
  Ni  Ni207  1  0.808692  0.638058  0.652020  1
  Ni  Ni208  1  0.308692  0.138058  0.652020  1
  Ni  Ni209  1  0.725506  0.322733  0.689436  1
  Ni  Ni210  1  0.225506  0.822733  0.689436  1
  Ni  Ni211  1  0.232043  0.378535  0.657664  1
  Ni  Ni212  1  0.732043  0.878535  0.657664  1
  Ni  Ni213  1  0.559915  0.617794  0.663135  1
  Ni  Ni214  1  0.059915  0.117794  0.663135  1
  Ni  Ni215  1  0.051512  0.565421  0.690853  1
  Ni  Ni216  1  0.551512  0.065421  0.690853  1
  Ni  Ni217  1  0.463751  0.290781  0.701200  1
  Ni  Ni218  1  0.963751  0.790781  0.701200  1
  Ni  Ni219  1  0.977810  0.347389  0.671956  1
  Ni  Ni220  1  0.477810  0.847389  0.671956  1
  Ni  Ni221  1  0.304301  0.590102  0.677714  1
  Ni  Ni222  1  0.804301  0.090102  0.677714  1
  Ni  Ni223  1  0.805032  0.534761  0.705150  1
  Ni  Ni224  1  0.305032  0.034761  0.705150  1
