# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88694351
_cell_length_b   15.61348894
_cell_length_c   51.44087289
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr80 Ni160'
_cell_volume   7533.40987154
_cell_formula_units_Z   80
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  0.938875  0.896716  0.297101  1
  Zr  Zr2  1  0.156585  0.332190  0.341912  1
  Zr  Zr3  1  0.129732  0.778371  0.287128  1
  Zr  Zr4  1  0.351369  0.221707  0.330996  1
  Zr  Zr5  1  0.045507  0.610030  0.320179  1
  Zr  Zr6  1  0.820245  0.159429  0.276532  1
  Zr  Zr7  1  0.462068  0.943094  0.353671  1
  Zr  Zr8  1  0.238377  0.495755  0.306915  1
  Zr  Zr9  1  0.545507  0.610030  0.320179  1
  Zr  Zr10  1  0.320245  0.159429  0.276532  1
  Zr  Zr11  1  0.962068  0.943094  0.353671  1
  Zr  Zr12  1  0.738377  0.495755  0.306915  1
  Zr  Zr13  1  0.438875  0.896716  0.297101  1
  Zr  Zr14  1  0.656585  0.332190  0.341912  1
  Zr  Zr15  1  0.629732  0.778371  0.287128  1
  Zr  Zr16  1  0.851369  0.221707  0.330996  1
  Zr  Zr17  1  0.378792  0.776589  0.387427  1
  Zr  Zr18  1  0.601294  0.221606  0.432993  1
  Zr  Zr19  1  0.573674  0.666312  0.376124  1
  Zr  Zr20  1  0.795607  0.110188  0.421524  1
  Zr  Zr21  1  0.490293  0.499604  0.409968  1
  Zr  Zr22  1  0.267640  0.054291  0.364721  1
  Zr  Zr23  1  0.906698  0.832374  0.444153  1
  Zr  Zr24  1  0.684693  0.388360  0.398734  1
  Zr  Zr25  1  0.990293  0.499604  0.409968  1
  Zr  Zr26  1  0.767640  0.054291  0.364721  1
  Zr  Zr27  1  0.406698  0.832374  0.444153  1
  Zr  Zr28  1  0.184693  0.388360  0.398734  1
  Zr  Zr29  1  0.878792  0.776589  0.387427  1
  Zr  Zr30  1  0.101294  0.221606  0.432993  1
  Zr  Zr31  1  0.073674  0.666312  0.376124  1
  Zr  Zr32  1  0.295607  0.110188  0.421524  1
  Zr  Zr33  1  0.823400  0.665827  0.478317  1
  Zr  Zr34  1  0.045659  0.110352  0.524046  1
  Zr  Zr35  1  0.017829  0.554642  0.466858  1
  Zr  Zr36  1  0.240107  0.999207  0.512564  1
  Zr  Zr37  1  0.934539  0.388108  0.501115  1
  Zr  Zr38  1  0.712274  0.943569  0.455688  1
  Zr  Zr39  1  0.351196  0.721389  0.535175  1
  Zr  Zr40  1  0.128935  0.276858  0.489793  1
  Zr  Zr41  1  0.434539  0.388108  0.501115  1
  Zr  Zr42  1  0.212274  0.943569  0.455688  1
  Zr  Zr43  1  0.851196  0.721389  0.535175  1
  Zr  Zr44  1  0.628935  0.276858  0.489793  1
  Zr  Zr45  1  0.323400  0.665827  0.478317  1
  Zr  Zr46  1  0.545659  0.110352  0.524046  1
  Zr  Zr47  1  0.517829  0.554642  0.466858  1
  Zr  Zr48  1  0.740107  0.999207  0.512564  1
  Zr  Zr49  1  0.267794  0.554633  0.569310  1
  Zr  Zr50  1  0.489971  0.998991  0.614787  1
  Zr  Zr51  1  0.462146  0.443293  0.557910  1
  Zr  Zr52  1  0.684719  0.888445  0.603364  1
  Zr  Zr53  1  0.378823  0.276692  0.592235  1
  Zr  Zr54  1  0.156788  0.832616  0.546677  1
  Zr  Zr55  1  0.795795  0.610598  0.626036  1
  Zr  Zr56  1  0.573270  0.165543  0.580990  1
  Zr  Zr57  1  0.878823  0.276692  0.592235  1
  Zr  Zr58  1  0.656788  0.832616  0.546677  1
  Zr  Zr59  1  0.295795  0.610598  0.626036  1
  Zr  Zr60  1  0.073270  0.165543  0.580990  1
  Zr  Zr61  1  0.767794  0.554633  0.569310  1
  Zr  Zr62  1  0.989971  0.998991  0.614787  1
  Zr  Zr63  1  0.962146  0.443293  0.557910  1
  Zr  Zr64  1  0.184719  0.888445  0.603364  1
  Zr  Zr65  1  0.712182  0.443425  0.659864  1
  Zr  Zr66  1  0.935396  0.889851  0.704604  1
  Zr  Zr67  1  0.906627  0.332269  0.649134  1
  Zr  Zr68  1  0.124592  0.768219  0.693677  1
  Zr  Zr69  1  0.824499  0.168053  0.685532  1
  Zr  Zr70  1  0.601379  0.721815  0.637086  1
  Zr  Zr71  1  0.243322  0.505744  0.714442  1
  Zr  Zr72  1  0.018143  0.055296  0.671360  1
  Zr  Zr73  1  0.324499  0.168053  0.685532  1
  Zr  Zr74  1  0.101379  0.721815  0.637086  1
  Zr  Zr75  1  0.743322  0.505744  0.714442  1
  Zr  Zr76  1  0.518143  0.055296  0.671360  1
  Zr  Zr77  1  0.212182  0.443425  0.659864  1
  Zr  Zr78  1  0.435396  0.889851  0.704604  1
  Zr  Zr79  1  0.406627  0.332269  0.649134  1
  Zr  Zr80  1  0.624592  0.768219  0.693677  1
  Ni  Ni81  1  0.891440  0.054263  0.313778  1
  Ni  Ni82  1  0.115763  0.499458  0.358551  1
  Ni  Ni83  1  0.143841  0.054266  0.313771  1
  Ni  Ni84  1  0.364701  0.499457  0.358550  1
  Ni  Ni85  1  0.837567  0.694038  0.300294  1
  Ni  Ni86  1  0.059463  0.137907  0.347660  1
  Ni  Ni87  1  0.309385  0.637762  0.346552  1
  Ni  Ni88  1  0.087285  0.193559  0.301754  1
  Ni  Ni89  1  0.002944  0.776935  0.335489  1
  Ni  Ni90  1  0.782413  0.331395  0.290865  1
  Ni  Ni91  1  0.255015  0.776931  0.335487  1
  Ni  Ni92  1  0.029998  0.331404  0.290859  1
  Ni  Ni93  1  0.724702  0.968347  0.278547  1
  Ni  Ni94  1  0.948506  0.416002  0.324596  1
  Ni  Ni95  1  0.198203  0.915379  0.324318  1
  Ni  Ni96  1  0.980227  0.479480  0.281020  1
  Ni  Ni97  1  0.502944  0.776935  0.335489  1
  Ni  Ni98  1  0.282413  0.331395  0.290865  1
  Ni  Ni99  1  0.755015  0.776931  0.335487  1
  Ni  Ni100  1  0.529998  0.331404  0.290859  1
  Ni  Ni101  1  0.224702  0.968347  0.278547  1
  Ni  Ni102  1  0.448506  0.416002  0.324596  1
  Ni  Ni103  1  0.698203  0.915379  0.324318  1
  Ni  Ni104  1  0.480227  0.479480  0.281020  1
  Ni  Ni105  1  0.391440  0.054263  0.313778  1
  Ni  Ni106  1  0.615763  0.499458  0.358551  1
  Ni  Ni107  1  0.643841  0.054266  0.313771  1
  Ni  Ni108  1  0.864701  0.499457  0.358550  1
  Ni  Ni109  1  0.337567  0.694038  0.300294  1
  Ni  Ni110  1  0.559463  0.137907  0.347660  1
  Ni  Ni111  1  0.809385  0.637762  0.346552  1
  Ni  Ni112  1  0.587285  0.193559  0.301754  1
  Ni  Ni113  1  0.337219  0.943576  0.404576  1
  Ni  Ni114  1  0.559571  0.388162  0.449956  1
  Ni  Ni115  1  0.587367  0.943576  0.404576  1
  Ni  Ni116  1  0.809588  0.388162  0.449957  1
  Ni  Ni117  1  0.281891  0.582774  0.392758  1
  Ni  Ni118  1  0.503934  0.026866  0.438727  1
  Ni  Ni119  1  0.753953  0.526906  0.438473  1
  Ni  Ni120  1  0.531835  0.082659  0.393466  1
  Ni  Ni121  1  0.448308  0.665701  0.427155  1
  Ni  Ni122  1  0.226357  0.221653  0.382059  1
  Ni  Ni123  1  0.698396  0.665701  0.427155  1
  Ni  Ni124  1  0.476306  0.221654  0.382059  1
  Ni  Ni125  1  0.170002  0.858987  0.370249  1
  Ni  Ni126  1  0.392977  0.304952  0.415967  1
  Ni  Ni127  1  0.642894  0.804781  0.415930  1
  Ni  Ni128  1  0.420930  0.360853  0.370577  1
  Ni  Ni129  1  0.948308  0.665701  0.427155  1
  Ni  Ni130  1  0.726357  0.221653  0.382059  1
  Ni  Ni131  1  0.198396  0.665701  0.427155  1
  Ni  Ni132  1  0.976306  0.221654  0.382059  1
  Ni  Ni133  1  0.670002  0.858987  0.370249  1
  Ni  Ni134  1  0.892977  0.304952  0.415967  1
  Ni  Ni135  1  0.142894  0.804781  0.415930  1
  Ni  Ni136  1  0.920930  0.360853  0.370577  1
  Ni  Ni137  1  0.837219  0.943576  0.404576  1
  Ni  Ni138  1  0.059571  0.388162  0.449956  1
  Ni  Ni139  1  0.087367  0.943576  0.404576  1
  Ni  Ni140  1  0.309588  0.388162  0.449957  1
  Ni  Ni141  1  0.781891  0.582774  0.392758  1
  Ni  Ni142  1  0.003934  0.026866  0.438727  1
  Ni  Ni143  1  0.253953  0.526906  0.438473  1
  Ni  Ni144  1  0.031835  0.082659  0.393466  1
  Ni  Ni145  1  0.781764  0.832519  0.495439  1
  Ni  Ni146  1  0.003904  0.276806  0.540952  1
  Ni  Ni147  1  0.031746  0.832519  0.495439  1
  Ni  Ni148  1  0.253885  0.276807  0.540952  1
  Ni  Ni149  1  0.726180  0.471368  0.484038  1
  Ni  Ni150  1  0.948500  0.916015  0.529550  1
  Ni  Ni151  1  0.198363  0.415743  0.529523  1
  Ni  Ni152  1  0.976196  0.971399  0.484123  1
  Ni  Ni153  1  0.892803  0.554649  0.518102  1
  Ni  Ni154  1  0.670668  0.110303  0.472778  1
  Ni  Ni155  1  0.142832  0.554649  0.518102  1
  Ni  Ni156  1  0.920630  0.110304  0.472778  1
  Ni  Ni157  1  0.615041  0.749085  0.461334  1
  Ni  Ni158  1  0.837267  0.193544  0.506874  1
  Ni  Ni159  1  0.087292  0.693594  0.506739  1
  Ni  Ni160  1  0.865094  0.249191  0.461407  1
  Ni  Ni161  1  0.392803  0.554649  0.518102  1
  Ni  Ni162  1  0.170668  0.110303  0.472778  1
  Ni  Ni163  1  0.642832  0.554649  0.518102  1
  Ni  Ni164  1  0.420630  0.110304  0.472778  1
  Ni  Ni165  1  0.115041  0.749085  0.461334  1
  Ni  Ni166  1  0.337267  0.193544  0.506874  1
  Ni  Ni167  1  0.587292  0.693594  0.506739  1
  Ni  Ni168  1  0.365094  0.249191  0.461407  1
  Ni  Ni169  1  0.281764  0.832519  0.495439  1
  Ni  Ni170  1  0.503904  0.276806  0.540952  1
  Ni  Ni171  1  0.531746  0.832519  0.495439  1
  Ni  Ni172  1  0.753885  0.276807  0.540952  1
  Ni  Ni173  1  0.226180  0.471368  0.484038  1
  Ni  Ni174  1  0.448500  0.916015  0.529550  1
  Ni  Ni175  1  0.698363  0.415743  0.529523  1
  Ni  Ni176  1  0.476196  0.971399  0.484123  1
  Ni  Ni177  1  0.226246  0.721394  0.586268  1
  Ni  Ni178  1  0.447810  0.165856  0.632324  1
  Ni  Ni179  1  0.476122  0.721394  0.586268  1
  Ni  Ni180  1  0.699016  0.165857  0.632326  1
  Ni  Ni181  1  0.170397  0.359818  0.575012  1
  Ni  Ni182  1  0.393285  0.805600  0.620492  1
  Ni  Ni183  1  0.642578  0.304189  0.620392  1
  Ni  Ni184  1  0.420638  0.860299  0.574945  1
  Ni  Ni185  1  0.337070  0.443166  0.608894  1
  Ni  Ni186  1  0.115238  0.999399  0.563776  1
  Ni  Ni187  1  0.587063  0.443166  0.608894  1
  Ni  Ni188  1  0.365139  0.999399  0.563776  1
  Ni  Ni189  1  0.059539  0.638098  0.552136  1
  Ni  Ni190  1  0.281699  0.082426  0.598129  1
  Ni  Ni191  1  0.531571  0.582171  0.597369  1
  Ni  Ni192  1  0.309562  0.138144  0.552494  1
  Ni  Ni193  1  0.837070  0.443166  0.608894  1
  Ni  Ni194  1  0.615238  0.999399  0.563776  1
  Ni  Ni195  1  0.087063  0.443166  0.608894  1
  Ni  Ni196  1  0.865139  0.999399  0.563776  1
  Ni  Ni197  1  0.559539  0.638098  0.552136  1
  Ni  Ni198  1  0.781699  0.082426  0.598129  1
  Ni  Ni199  1  0.031571  0.582171  0.597369  1
  Ni  Ni200  1  0.809562  0.138144  0.552494  1
  Ni  Ni201  1  0.726246  0.721394  0.586268  1
  Ni  Ni202  1  0.947810  0.165856  0.632324  1
  Ni  Ni203  1  0.976122  0.721394  0.586268  1
  Ni  Ni204  1  0.199016  0.165857  0.632326  1
  Ni  Ni205  1  0.670397  0.359818  0.575012  1
  Ni  Ni206  1  0.893285  0.805600  0.620492  1
  Ni  Ni207  1  0.142578  0.304189  0.620392  1
  Ni  Ni208  1  0.920638  0.860299  0.574945  1
  Ni  Ni209  1  0.672400  0.611039  0.677036  1
  Ni  Ni210  1  0.893469  0.051999  0.721494  1
  Ni  Ni211  1  0.919599  0.611037  0.677042  1
  Ni  Ni212  1  0.139472  0.051970  0.721498  1
  Ni  Ni213  1  0.615325  0.249693  0.666509  1
  Ni  Ni214  1  0.839038  0.697148  0.712327  1
  Ni  Ni215  1  0.086524  0.192092  0.711420  1
  Ni  Ni216  1  0.865401  0.749841  0.666661  1
  Ni  Ni217  1  0.782862  0.336734  0.699972  1
  Ni  Ni218  1  0.559440  0.887037  0.654933  1
  Ni  Ni219  1  0.034820  0.336728  0.699977  1
  Ni  Ni220  1  0.808566  0.887038  0.654934  1
  Ni  Ni221  1  0.504148  0.527338  0.643203  1
  Ni  Ni222  1  0.723305  0.965668  0.689628  1
  Ni  Ni223  1  0.977046  0.473135  0.689095  1
  Ni  Ni224  1  0.753925  0.026877  0.644041  1
  Ni  Ni225  1  0.282862  0.336734  0.699972  1
  Ni  Ni226  1  0.059440  0.887037  0.654933  1
  Ni  Ni227  1  0.534820  0.336728  0.699977  1
  Ni  Ni228  1  0.308566  0.887038  0.654934  1
  Ni  Ni229  1  0.004148  0.527338  0.643203  1
  Ni  Ni230  1  0.223305  0.965668  0.689628  1
  Ni  Ni231  1  0.477046  0.473135  0.689095  1
  Ni  Ni232  1  0.253925  0.026877  0.644041  1
  Ni  Ni233  1  0.172400  0.611039  0.677036  1
  Ni  Ni234  1  0.393469  0.051999  0.721494  1
  Ni  Ni235  1  0.419599  0.611037  0.677042  1
  Ni  Ni236  1  0.639472  0.051970  0.721498  1
  Ni  Ni237  1  0.115325  0.249693  0.666509  1
  Ni  Ni238  1  0.339038  0.697148  0.712327  1
  Ni  Ni239  1  0.586524  0.192092  0.711420  1
  Ni  Ni240  1  0.365401  0.749841  0.666661  1
