# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98927102
_cell_length_b   22.09759688
_cell_length_c   53.23845017
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr96 Ni192'
_cell_volume   8222.4706529
_cell_formula_units_Z   96
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  0.504947  0.296113  0.258093  1
  Zr  Zr2  1  0.501194  0.895666  0.339483  1
  Zr  Zr3  1  0.503682  0.596439  0.298242  1
  Zr  Zr4  1  0.763007  0.193944  0.277319  1
  Zr  Zr5  1  0.751244  0.795709  0.360351  1
  Zr  Zr6  1  0.751514  0.496344  0.318479  1
  Zr  Zr7  1  0.989083  0.443944  0.277319  1
  Zr  Zr8  1  1.000846  0.045709  0.360351  1
  Zr  Zr9  1  1.000577  0.746344  0.318479  1
  Zr  Zr10  1  0.248408  0.346439  0.298242  1
  Zr  Zr11  1  0.247144  0.046113  0.258093  1
  Zr  Zr12  1  0.250897  0.645666  0.339483  1
  Zr  Zr13  1  1.000577  0.246344  0.318479  1
  Zr  Zr14  1  0.989083  0.943944  0.277319  1
  Zr  Zr15  1  1.000846  0.545709  0.360351  1
  Zr  Zr16  1  0.250897  0.145666  0.339483  1
  Zr  Zr17  1  0.248408  0.846439  0.298242  1
  Zr  Zr18  1  0.247144  0.546113  0.258093  1
  Zr  Zr19  1  0.501194  0.395666  0.339483  1
  Zr  Zr20  1  0.503682  0.096439  0.298242  1
  Zr  Zr21  1  0.504947  0.796113  0.258093  1
  Zr  Zr22  1  0.751244  0.295709  0.360351  1
  Zr  Zr23  1  0.751514  0.996344  0.318479  1
  Zr  Zr24  1  0.763007  0.693944  0.277319  1
  Zr  Zr25  1  0.501254  0.195667  0.381029  1
  Zr  Zr26  1  0.500929  0.795651  0.464502  1
  Zr  Zr27  1  0.500764  0.495684  0.422756  1
  Zr  Zr28  1  0.750999  0.095699  0.401921  1
  Zr  Zr29  1  0.751140  0.695644  0.485340  1
  Zr  Zr30  1  0.751141  0.395668  0.443650  1
  Zr  Zr31  1  0.001091  0.345699  0.401921  1
  Zr  Zr32  1  1.000951  0.945644  0.485340  1
  Zr  Zr33  1  1.000950  0.645668  0.443650  1
  Zr  Zr34  1  0.251327  0.245684  0.422756  1
  Zr  Zr35  1  0.250836  0.945667  0.381029  1
  Zr  Zr36  1  0.251161  0.545651  0.464502  1
  Zr  Zr37  1  1.000950  0.145668  0.443650  1
  Zr  Zr38  1  0.001091  0.845699  0.401921  1
  Zr  Zr39  1  1.000951  0.445644  0.485340  1
  Zr  Zr40  1  0.251161  0.045651  0.464502  1
  Zr  Zr41  1  0.251327  0.745684  0.422756  1
  Zr  Zr42  1  0.250836  0.445667  0.381029  1
  Zr  Zr43  1  0.500929  0.295651  0.464502  1
  Zr  Zr44  1  0.500764  0.995684  0.422756  1
  Zr  Zr45  1  0.501254  0.695667  0.381029  1
  Zr  Zr46  1  0.751140  0.195644  0.485340  1
  Zr  Zr47  1  0.751141  0.895668  0.443650  1
  Zr  Zr48  1  0.750999  0.595699  0.401921  1
  Zr  Zr49  1  0.500954  0.095636  0.506183  1
  Zr  Zr50  1  0.501052  0.695594  0.589582  1
  Zr  Zr51  1  0.500945  0.395608  0.547870  1
  Zr  Zr52  1  0.751159  0.995624  0.527021  1
  Zr  Zr53  1  0.750731  0.595629  0.610456  1
  Zr  Zr54  1  0.751265  0.295599  0.568756  1
  Zr  Zr55  1  1.000932  0.245624  0.527021  1
  Zr  Zr56  1  0.001359  0.845629  0.610456  1
  Zr  Zr57  1  1.000826  0.545599  0.568756  1
  Zr  Zr58  1  0.251145  0.145608  0.547870  1
  Zr  Zr59  1  0.251136  0.845636  0.506183  1
  Zr  Zr60  1  0.251038  0.445594  0.589582  1
  Zr  Zr61  1  1.000826  0.045599  0.568756  1
  Zr  Zr62  1  1.000932  0.745624  0.527021  1
  Zr  Zr63  1  0.001359  0.345629  0.610456  1
  Zr  Zr64  1  0.251038  0.945594  0.589582  1
  Zr  Zr65  1  0.251145  0.645608  0.547870  1
  Zr  Zr66  1  0.251136  0.345636  0.506183  1
  Zr  Zr67  1  0.501052  0.195594  0.589582  1
  Zr  Zr68  1  0.500945  0.895608  0.547870  1
  Zr  Zr69  1  0.500954  0.595636  0.506183  1
  Zr  Zr70  1  0.750731  0.095629  0.610456  1
  Zr  Zr71  1  0.751265  0.795599  0.568756  1
  Zr  Zr72  1  0.751159  0.495624  0.527021  1
  Zr  Zr73  1  0.500871  0.995514  0.631167  1
  Zr  Zr74  1  0.492514  0.598166  0.715095  1
  Zr  Zr75  1  0.499034  0.295236  0.673019  1
  Zr  Zr76  1  0.750553  0.895503  0.651957  1
  Zr  Zr77  1  0.754821  0.493287  0.734048  1
  Zr  Zr78  1  0.748474  0.194779  0.693516  1
  Zr  Zr79  1  0.001537  0.145503  0.651957  1
  Zr  Zr80  1  0.997270  0.743287  0.734048  1
  Zr  Zr81  1  0.003617  0.444779  0.693516  1
  Zr  Zr82  1  0.253056  0.045236  0.673019  1
  Zr  Zr83  1  0.251219  0.745514  0.631167  1
  Zr  Zr84  1  0.259576  0.348166  0.715095  1
  Zr  Zr85  1  0.003617  0.944779  0.693516  1
  Zr  Zr86  1  0.001537  0.645503  0.651957  1
  Zr  Zr87  1  0.997270  0.243287  0.734048  1
  Zr  Zr88  1  0.259576  0.848166  0.715095  1
  Zr  Zr89  1  0.253056  0.545236  0.673019  1
  Zr  Zr90  1  0.251219  0.245514  0.631167  1
  Zr  Zr91  1  0.492514  0.098166  0.715095  1
  Zr  Zr92  1  0.499034  0.795236  0.673019  1
  Zr  Zr93  1  0.500871  0.495514  0.631167  1
  Zr  Zr94  1  0.754821  0.993287  0.734048  1
  Zr  Zr95  1  0.748474  0.694779  0.693516  1
  Zr  Zr96  1  0.750553  0.395503  0.651957  1
  Ni  Ni97  1  0.126338  0.245683  0.370713  1
  Ni  Ni98  1  0.123891  0.945696  0.328874  1
  Ni  Ni99  1  0.130087  0.645979  0.287021  1
  Ni  Ni100  1  0.131455  0.247440  0.266652  1
  Ni  Ni101  1  0.126052  0.845751  0.349936  1
  Ni  Ni102  1  0.124323  0.545522  0.307664  1
  Ni  Ni103  1  0.876129  0.170683  0.360346  1
  Ni  Ni104  1  0.874054  0.870897  0.318245  1
  Ni  Ni105  1  0.875606  0.569797  0.276179  1
  Ni  Ni106  1  0.876484  0.319797  0.276179  1
  Ni  Ni107  1  0.875962  0.920683  0.360346  1
  Ni  Ni108  1  0.878037  0.620897  0.318245  1
  Ni  Ni109  1  0.626039  0.095751  0.349936  1
  Ni  Ni110  1  0.627767  0.795522  0.307664  1
  Ni  Ni111  1  0.620635  0.497440  0.266652  1
  Ni  Ni112  1  0.622003  0.395979  0.287021  1
  Ni  Ni113  1  0.625753  0.995683  0.370713  1
  Ni  Ni114  1  0.628199  0.695696  0.328874  1
  Ni  Ni115  1  0.358200  0.419514  0.256187  1
  Ni  Ni116  1  0.375144  0.020672  0.339418  1
  Ni  Ni117  1  0.379936  0.720447  0.297288  1
  Ni  Ni118  1  0.393890  0.169514  0.256187  1
  Ni  Ni119  1  0.376946  0.770672  0.339418  1
  Ni  Ni120  1  0.372154  0.470447  0.297288  1
  Ni  Ni121  1  0.627767  0.295522  0.307664  1
  Ni  Ni122  1  0.620635  0.997440  0.266652  1
  Ni  Ni123  1  0.626039  0.595751  0.349936  1
  Ni  Ni124  1  0.628199  0.195696  0.328874  1
  Ni  Ni125  1  0.622003  0.895979  0.287021  1
  Ni  Ni126  1  0.625753  0.495683  0.370713  1
  Ni  Ni127  1  0.379936  0.220447  0.297288  1
  Ni  Ni128  1  0.358200  0.919514  0.256187  1
  Ni  Ni129  1  0.375144  0.520672  0.339418  1
  Ni  Ni130  1  0.376946  0.270672  0.339418  1
  Ni  Ni131  1  0.372154  0.970447  0.297288  1
  Ni  Ni132  1  0.393890  0.669514  0.256187  1
  Ni  Ni133  1  0.130087  0.145979  0.287021  1
  Ni  Ni134  1  0.126338  0.745683  0.370713  1
  Ni  Ni135  1  0.123891  0.445696  0.328874  1
  Ni  Ni136  1  0.126052  0.345751  0.349936  1
  Ni  Ni137  1  0.124323  0.045522  0.307664  1
  Ni  Ni138  1  0.131455  0.747440  0.266652  1
  Ni  Ni139  1  0.874054  0.370897  0.318245  1
  Ni  Ni140  1  0.875606  0.069797  0.276179  1
  Ni  Ni141  1  0.876129  0.670683  0.360346  1
  Ni  Ni142  1  0.878037  0.120897  0.318245  1
  Ni  Ni143  1  0.876484  0.819797  0.276179  1
  Ni  Ni144  1  0.875962  0.420683  0.360346  1
  Ni  Ni145  1  0.126050  0.145640  0.495758  1
  Ni  Ni146  1  0.126035  0.845657  0.454074  1
  Ni  Ni147  1  0.125964  0.545684  0.412393  1
  Ni  Ni148  1  0.126286  0.145708  0.391605  1
  Ni  Ni149  1  0.126081  0.745648  0.474911  1
  Ni  Ni150  1  0.126040  0.445672  0.433222  1
  Ni  Ni151  1  0.876033  0.070645  0.485341  1
  Ni  Ni152  1  0.876071  0.770685  0.443660  1
  Ni  Ni153  1  0.875858  0.470714  0.402017  1
  Ni  Ni154  1  0.876232  0.220714  0.402017  1
  Ni  Ni155  1  0.876058  0.820645  0.485341  1
  Ni  Ni156  1  0.876019  0.520685  0.443660  1
  Ni  Ni157  1  0.626009  0.995648  0.474911  1
  Ni  Ni158  1  0.626051  0.695672  0.433222  1
  Ni  Ni159  1  0.625804  0.395708  0.391605  1
  Ni  Ni160  1  0.626127  0.295684  0.412393  1
  Ni  Ni161  1  0.626040  0.895640  0.495758  1
  Ni  Ni162  1  0.626056  0.595657  0.454074  1
  Ni  Ni163  1  0.376135  0.320711  0.381154  1
  Ni  Ni164  1  0.376013  0.920661  0.464498  1
  Ni  Ni165  1  0.376099  0.620694  0.422826  1
  Ni  Ni166  1  0.375956  0.070711  0.381154  1
  Ni  Ni167  1  0.376078  0.670661  0.464498  1
  Ni  Ni168  1  0.375991  0.370694  0.422826  1
  Ni  Ni169  1  0.626051  0.195672  0.433222  1
  Ni  Ni170  1  0.625804  0.895708  0.391605  1
  Ni  Ni171  1  0.626009  0.495648  0.474911  1
  Ni  Ni172  1  0.626056  0.095657  0.454074  1
  Ni  Ni173  1  0.626127  0.795684  0.412393  1
  Ni  Ni174  1  0.626040  0.395640  0.495758  1
  Ni  Ni175  1  0.376099  0.120694  0.422826  1
  Ni  Ni176  1  0.376135  0.820711  0.381154  1
  Ni  Ni177  1  0.376013  0.420661  0.464498  1
  Ni  Ni178  1  0.376078  0.170661  0.464498  1
  Ni  Ni179  1  0.375991  0.870694  0.422826  1
  Ni  Ni180  1  0.375956  0.570711  0.381154  1
  Ni  Ni181  1  0.125964  0.045684  0.412393  1
  Ni  Ni182  1  0.126050  0.645640  0.495758  1
  Ni  Ni183  1  0.126035  0.345657  0.454074  1
  Ni  Ni184  1  0.126081  0.245648  0.474911  1
  Ni  Ni185  1  0.126040  0.945672  0.433222  1
  Ni  Ni186  1  0.126286  0.645708  0.391605  1
  Ni  Ni187  1  0.876071  0.270685  0.443660  1
  Ni  Ni188  1  0.875858  0.970714  0.402017  1
  Ni  Ni189  1  0.876033  0.570645  0.485341  1
  Ni  Ni190  1  0.876019  0.020685  0.443660  1
  Ni  Ni191  1  0.876232  0.720714  0.402017  1
  Ni  Ni192  1  0.876058  0.320645  0.485341  1
  Ni  Ni193  1  0.125970  0.045591  0.620822  1
  Ni  Ni194  1  0.126050  0.745585  0.579129  1
  Ni  Ni195  1  0.126050  0.445624  0.537444  1
  Ni  Ni196  1  0.126012  0.045633  0.516606  1
  Ni  Ni197  1  0.125907  0.645557  0.599945  1
  Ni  Ni198  1  0.126056  0.345604  0.558287  1
  Ni  Ni199  1  0.876009  0.970575  0.610374  1
  Ni  Ni200  1  0.875993  0.670580  0.568704  1
  Ni  Ni201  1  0.876064  0.370620  0.527018  1
  Ni  Ni202  1  0.876027  0.120620  0.527018  1
  Ni  Ni203  1  0.876081  0.720575  0.610374  1
  Ni  Ni204  1  0.876097  0.420580  0.568704  1
  Ni  Ni205  1  0.626184  0.895557  0.599945  1
  Ni  Ni206  1  0.626035  0.595604  0.558287  1
  Ni  Ni207  1  0.626079  0.295633  0.516606  1
  Ni  Ni208  1  0.626040  0.195624  0.537444  1
  Ni  Ni209  1  0.626120  0.795591  0.620822  1
  Ni  Ni210  1  0.626040  0.495585  0.579129  1
  Ni  Ni211  1  0.376053  0.220634  0.506177  1
  Ni  Ni212  1  0.376120  0.820573  0.589541  1
  Ni  Ni213  1  0.376034  0.520601  0.547860  1
  Ni  Ni214  1  0.376037  0.970634  0.506177  1
  Ni  Ni215  1  0.375971  0.570573  0.589541  1
  Ni  Ni216  1  0.376056  0.270601  0.547860  1
  Ni  Ni217  1  0.626035  0.095604  0.558287  1
  Ni  Ni218  1  0.626079  0.795633  0.516606  1
  Ni  Ni219  1  0.626184  0.395557  0.599945  1
  Ni  Ni220  1  0.626040  0.995585  0.579129  1
  Ni  Ni221  1  0.626040  0.695624  0.537444  1
  Ni  Ni222  1  0.626120  0.295591  0.620822  1
  Ni  Ni223  1  0.376034  0.020601  0.547860  1
  Ni  Ni224  1  0.376053  0.720634  0.506177  1
  Ni  Ni225  1  0.376120  0.320573  0.589541  1
  Ni  Ni226  1  0.375971  0.070573  0.589541  1
  Ni  Ni227  1  0.376056  0.770601  0.547860  1
  Ni  Ni228  1  0.376037  0.470634  0.506177  1
  Ni  Ni229  1  0.126050  0.945624  0.537444  1
  Ni  Ni230  1  0.125970  0.545591  0.620822  1
  Ni  Ni231  1  0.126050  0.245585  0.579129  1
  Ni  Ni232  1  0.125907  0.145557  0.599945  1
  Ni  Ni233  1  0.126056  0.845604  0.558287  1
  Ni  Ni234  1  0.126012  0.545633  0.516606  1
  Ni  Ni235  1  0.875993  0.170580  0.568704  1
  Ni  Ni236  1  0.876064  0.870620  0.527018  1
  Ni  Ni237  1  0.876009  0.470575  0.610374  1
  Ni  Ni238  1  0.876097  0.920580  0.568704  1
  Ni  Ni239  1  0.876027  0.620620  0.527018  1
  Ni  Ni240  1  0.876081  0.220575  0.610374  1
  Ni  Ni241  1  0.118512  0.945042  0.744397  1
  Ni  Ni242  1  0.122571  0.645412  0.704240  1
  Ni  Ni243  1  0.127931  0.345570  0.662595  1
  Ni  Ni244  1  0.126216  0.945553  0.641624  1
  Ni  Ni245  1  0.125716  0.544296  0.724469  1
  Ni  Ni246  1  0.126449  0.245833  0.683731  1
  Ni  Ni247  1  0.885042  0.868873  0.735457  1
  Ni  Ni248  1  0.873421  0.570518  0.694126  1
  Ni  Ni249  1  0.876768  0.270624  0.652003  1
  Ni  Ni250  1  0.875322  0.020624  0.652003  1
  Ni  Ni251  1  0.867048  0.618873  0.735457  1
  Ni  Ni252  1  0.878669  0.320518  0.694126  1
  Ni  Ni253  1  0.626374  0.794296  0.724469  1
  Ni  Ni254  1  0.625641  0.495833  0.683731  1
  Ni  Ni255  1  0.625875  0.195553  0.641624  1
  Ni  Ni256  1  0.624160  0.095570  0.662595  1
  Ni  Ni257  1  0.633579  0.695042  0.744397  1
  Ni  Ni258  1  0.629520  0.395412  0.704240  1
  Ni  Ni259  1  0.376149  0.120615  0.631203  1
  Ni  Ni260  1  0.372328  0.721973  0.715242  1
  Ni  Ni261  1  0.377872  0.420378  0.673247  1
  Ni  Ni262  1  0.375942  0.870615  0.631203  1
  Ni  Ni263  1  0.379762  0.471973  0.715242  1
  Ni  Ni264  1  0.374218  0.170378  0.673247  1
  Ni  Ni265  1  0.625641  0.995833  0.683731  1
  Ni  Ni266  1  0.625875  0.695553  0.641624  1
  Ni  Ni267  1  0.626374  0.294296  0.724469  1
  Ni  Ni268  1  0.629520  0.895412  0.704240  1
  Ni  Ni269  1  0.624160  0.595570  0.662595  1
  Ni  Ni270  1  0.633579  0.195042  0.744397  1
  Ni  Ni271  1  0.377872  0.920378  0.673247  1
  Ni  Ni272  1  0.376149  0.620615  0.631203  1
  Ni  Ni273  1  0.372328  0.221973  0.715242  1
  Ni  Ni274  1  0.379762  0.971973  0.715242  1
  Ni  Ni275  1  0.374218  0.670378  0.673247  1
  Ni  Ni276  1  0.375942  0.370615  0.631203  1
  Ni  Ni277  1  0.127931  0.845570  0.662595  1
  Ni  Ni278  1  0.118512  0.445042  0.744397  1
  Ni  Ni279  1  0.122571  0.145412  0.704240  1
  Ni  Ni280  1  0.125716  0.044296  0.724469  1
  Ni  Ni281  1  0.126449  0.745833  0.683731  1
  Ni  Ni282  1  0.126216  0.445553  0.641624  1
  Ni  Ni283  1  0.873421  0.070518  0.694126  1
  Ni  Ni284  1  0.876768  0.770624  0.652003  1
  Ni  Ni285  1  0.885042  0.368873  0.735457  1
  Ni  Ni286  1  0.878669  0.820518  0.694126  1
  Ni  Ni287  1  0.875322  0.520624  0.652003  1
  Ni  Ni288  1  0.867048  0.118873  0.735457  1
