# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44374212
_cell_length_b   20.53427880
_cell_length_c   45.43745604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   6012.17500691
_cell_formula_units_Z   48
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  0.835682  0.043641  0.350262  1
  Zr  Zr2  1  0.828149  0.442237  0.312494  1
  Zr  Zr3  1  0.831864  0.645454  0.387715  1
  Zr  Zr4  1  0.173760  0.145599  0.387343  1
  Zr  Zr5  1  0.167569  0.544025  0.350229  1
  Zr  Zr6  1  0.176894  0.942156  0.312622  1
  Zr  Zr7  1  0.336765  0.075324  0.332360  1
  Zr  Zr8  1  0.336871  0.472836  0.296401  1
  Zr  Zr9  1  0.330635  0.677666  0.369134  1
  Zr  Zr10  1  0.672638  0.177935  0.368736  1
  Zr  Zr11  1  0.668339  0.575897  0.332455  1
  Zr  Zr12  1  0.668714  0.972556  0.296247  1
  Zr  Zr13  1  0.340535  0.243373  0.330943  1
  Zr  Zr14  1  0.324467  0.641053  0.294718  1
  Zr  Zr15  1  0.331890  0.844722  0.368512  1
  Zr  Zr16  1  0.678157  0.140061  0.294904  1
  Zr  Zr17  1  0.672148  0.344532  0.368233  1
  Zr  Zr18  1  0.665394  0.743615  0.332043  1
  Zr  Zr19  1  0.849551  0.276577  0.312810  1
  Zr  Zr20  1  0.832641  0.668661  0.278977  1
  Zr  Zr21  1  0.832470  0.877125  0.350760  1
  Zr  Zr22  1  0.160645  0.163301  0.279556  1
  Zr  Zr23  1  0.172722  0.376841  0.350435  1
  Zr  Zr24  1  0.159096  0.776818  0.312992  1
  Zr  Zr25  1  0.832505  0.847118  0.461877  1
  Zr  Zr26  1  0.835166  0.246152  0.424440  1
  Zr  Zr27  1  0.834268  0.447783  0.498804  1
  Zr  Zr28  1  0.170711  0.947999  0.499006  1
  Zr  Zr29  1  0.172492  0.346864  0.461593  1
  Zr  Zr30  1  0.170096  0.746332  0.424630  1
  Zr  Zr31  1  0.332341  0.879436  0.443497  1
  Zr  Zr32  1  0.335314  0.278538  0.405853  1
  Zr  Zr33  1  0.334153  0.480119  0.480533  1
  Zr  Zr34  1  0.670832  0.980352  0.480644  1
  Zr  Zr35  1  0.672444  0.379172  0.443252  1
  Zr  Zr36  1  0.669510  0.778619  0.406382  1
  Zr  Zr37  1  0.333265  0.046664  0.443199  1
  Zr  Zr38  1  0.334430  0.445749  0.406061  1
  Zr  Zr39  1  0.333193  0.647525  0.480341  1
  Zr  Zr40  1  0.670099  0.945636  0.406166  1
  Zr  Zr41  1  0.671986  0.147447  0.480298  1
  Zr  Zr42  1  0.671518  0.546536  0.443195  1
  Zr  Zr43  1  0.834193  0.079077  0.424774  1
  Zr  Zr44  1  0.833834  0.477718  0.387669  1
  Zr  Zr45  1  0.832918  0.679905  0.462108  1
  Zr  Zr46  1  0.171420  0.977697  0.387683  1
  Zr  Zr47  1  0.172351  0.179908  0.461896  1
  Zr  Zr48  1  0.170675  0.578908  0.424913  1
  Zr  Zr49  1  0.834308  0.649705  0.573157  1
  Zr  Zr50  1  0.832633  0.048705  0.536174  1
  Zr  Zr51  1  0.833563  0.250916  0.610387  1
  Zr  Zr52  1  0.171150  0.750894  0.610401  1
  Zr  Zr53  1  0.170790  0.149535  0.573296  1
  Zr  Zr54  1  0.172065  0.548708  0.535962  1
  Zr  Zr55  1  0.333465  0.682077  0.554876  1
  Zr  Zr56  1  0.332997  0.081165  0.517772  1
  Zr  Zr57  1  0.334884  0.282977  0.591905  1
  Zr  Zr58  1  0.670553  0.782863  0.592010  1
  Zr  Zr59  1  0.671718  0.181949  0.554871  1
  Zr  Zr60  1  0.671790  0.581088  0.517730  1
  Zr  Zr61  1  0.332540  0.849441  0.554818  1
  Zr  Zr62  1  0.334152  0.248261  0.517426  1
  Zr  Zr63  1  0.335473  0.449994  0.591688  1
  Zr  Zr64  1  0.670831  0.748493  0.517538  1
  Zr  Zr65  1  0.669670  0.950074  0.592217  1
  Zr  Zr66  1  0.672642  0.349177  0.554573  1
  Zr  Zr67  1  0.832491  0.881749  0.536477  1
  Zr  Zr68  1  0.834273  0.280613  0.499065  1
  Zr  Zr69  1  0.834887  0.482281  0.573441  1
  Zr  Zr70  1  0.170715  0.780830  0.499266  1
  Zr  Zr71  1  0.169817  0.982461  0.573631  1
  Zr  Zr72  1  0.172478  0.381494  0.536193  1
  Zr  Zr73  1  0.845888  0.451795  0.685079  1
  Zr  Zr74  1  0.832262  0.851772  0.647635  1
  Zr  Zr75  1  0.844339  0.065311  0.718514  1
  Zr  Zr76  1  0.172342  0.559952  0.719093  1
  Zr  Zr77  1  0.155433  0.952035  0.685261  1
  Zr  Zr78  1  0.172514  0.351487  0.647310  1
  Zr  Zr79  1  0.339590  0.484997  0.666027  1
  Zr  Zr80  1  0.332836  0.884081  0.629837  1
  Zr  Zr81  1  0.326826  0.088552  0.703166  1
  Zr  Zr82  1  0.680516  0.587559  0.703353  1
  Zr  Zr83  1  0.664449  0.985240  0.667127  1
  Zr  Zr84  1  0.673093  0.383890  0.629559  1
  Zr  Zr85  1  0.336644  0.652715  0.665616  1
  Zr  Zr86  1  0.332345  0.050678  0.629335  1
  Zr  Zr87  1  0.336270  0.256057  0.701823  1
  Zr  Zr88  1  0.674349  0.550947  0.628936  1
  Zr  Zr89  1  0.668112  0.755777  0.701670  1
  Zr  Zr90  1  0.668218  0.153289  0.665711  1
  Zr  Zr91  1  0.837414  0.684588  0.647841  1
  Zr  Zr92  1  0.831223  0.083014  0.610727  1
  Zr  Zr93  1  0.828090  0.286457  0.685448  1
  Zr  Zr94  1  0.173119  0.583159  0.610355  1
  Zr  Zr95  1  0.176835  0.786376  0.685576  1
  Zr  Zr96  1  0.169301  0.184971  0.647809  1
  Ni  Ni97  1  0.005838  0.261742  0.368624  1
  Ni  Ni98  1  0.999671  0.660977  0.332191  1
  Ni  Ni99  1  0.997221  0.056956  0.297180  1
  Ni  Ni100  1  0.004326  0.160653  0.332170  1
  Ni  Ni101  1  0.004238  0.558290  0.296943  1
  Ni  Ni102  1  1.000045  0.761834  0.369148  1
  Ni  Ni103  1  0.503233  0.061801  0.387888  1
  Ni  Ni104  1  0.502960  0.460680  0.350518  1
  Ni  Ni105  1  0.499415  0.858987  0.314035  1
  Ni  Ni106  1  0.506800  0.360252  0.314675  1
  Ni  Ni107  1  0.502956  0.757258  0.279319  1
  Ni  Ni108  1  0.501998  0.960033  0.350474  1
  Ni  Ni109  1  1.002195  0.063923  0.480469  1
  Ni  Ni110  1  0.002994  0.462844  0.443230  1
  Ni  Ni111  1  1.001013  0.862191  0.406291  1
  Ni  Ni112  1  1.001775  0.963110  0.443332  1
  Ni  Ni113  1  0.003749  0.361982  0.405993  1
  Ni  Ni114  1  0.002675  0.563812  0.480456  1
  Ni  Ni115  1  0.501537  0.864453  0.499159  1
  Ni  Ni116  1  0.503481  0.263382  0.461725  1
  Ni  Ni117  1  0.501039  0.662734  0.424810  1
  Ni  Ni118  1  0.503841  0.162747  0.424587  1
  Ni  Ni119  1  0.501440  0.561902  0.387926  1
  Ni  Ni120  1  0.501433  0.763552  0.461992  1
  Ni  Ni121  1  1.001234  0.866630  0.592077  1
  Ni  Ni122  1  0.003208  0.265503  0.554739  1
  Ni  Ni123  1  1.002309  0.664800  0.517614  1
  Ni  Ni124  1  1.001990  0.765769  0.554840  1
  Ni  Ni125  1  0.002789  0.164690  0.517601  1
  Ni  Ni126  1  0.003971  0.366422  0.591779  1
  Ni  Ni127  1  0.503544  0.666711  0.610144  1
  Ni  Ni128  1  0.501142  0.065866  0.573483  1
  Ni  Ni129  1  0.503551  0.465061  0.536078  1
  Ni  Ni130  1  0.501502  0.965230  0.536345  1
  Ni  Ni131  1  0.503446  0.364160  0.498911  1
  Ni  Ni132  1  0.503944  0.565878  0.573261  1
  Ni  Ni133  1  1.000746  0.670322  0.701128  1
  Ni  Ni134  1  1.000657  0.067960  0.665900  1
  Ni  Ni135  1  0.004939  0.466778  0.628922  1
  Ni  Ni136  1  0.005312  0.567635  0.665879  1
  Ni  Ni137  1  0.999145  0.966871  0.629446  1
  Ni  Ni138  1  0.007763  0.171657  0.700891  1
  Ni  Ni139  1  0.502027  0.471355  0.718751  1
  Ni  Ni140  1  0.498184  0.868360  0.683396  1
  Ni  Ni141  1  0.502986  0.268579  0.647597  1
  Ni  Ni142  1  0.502023  0.767932  0.647552  1
  Ni  Ni143  1  0.501750  0.166811  0.610182  1
  Ni  Ni144  1  0.505569  0.369625  0.684035  1
