# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40513009
_cell_length_b   12.35643534
_cell_length_c   50.02143151
_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   'Zr64 Ni32'
_cell_volume   3958.92498038
_cell_formula_units_Z   32
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  0.305915  0.549579  0.284067  1
  Zr  Zr2  1  0.336281  0.913372  0.338902  1
  Zr  Zr3  1  0.173543  0.413372  0.338902  1
  Zr  Zr4  1  0.203909  0.049579  0.284067  1
  Zr  Zr5  1  0.341018  0.282290  0.292735  1
  Zr  Zr6  1  0.335337  0.641124  0.347372  1
  Zr  Zr7  1  0.174486  0.141124  0.347372  1
  Zr  Zr8  1  0.168806  0.782290  0.292735  1
  Zr  Zr9  1  0.833556  0.225085  0.308653  1
  Zr  Zr10  1  0.832728  0.596431  0.366177  1
  Zr  Zr11  1  0.677096  0.096431  0.366177  1
  Zr  Zr12  1  0.676267  0.725085  0.308653  1
  Zr  Zr13  1  0.835452  0.321461  0.375564  1
  Zr  Zr14  1  0.837276  0.956890  0.320273  1
  Zr  Zr15  1  0.672547  0.456890  0.320273  1
  Zr  Zr16  1  0.674371  0.821461  0.375564  1
  Zr  Zr17  1  0.335678  0.277069  0.394065  1
  Zr  Zr18  1  0.333694  0.640089  0.449774  1
  Zr  Zr19  1  0.176130  0.140089  0.449774  1
  Zr  Zr20  1  0.174146  0.777069  0.394065  1
  Zr  Zr21  1  0.334325  0.003767  0.403560  1
  Zr  Zr22  1  0.334386  0.366515  0.459360  1
  Zr  Zr23  1  0.175437  0.866515  0.459360  1
  Zr  Zr24  1  0.175499  0.503767  0.403560  1
  Zr  Zr25  1  0.833257  0.958605  0.421856  1
  Zr  Zr26  1  0.834299  0.321626  0.477574  1
  Zr  Zr27  1  0.675525  0.821626  0.477574  1
  Zr  Zr28  1  0.676567  0.458605  0.421856  1
  Zr  Zr29  1  0.834083  0.047928  0.487195  1
  Zr  Zr30  1  0.833401  0.685073  0.431508  1
  Zr  Zr31  1  0.676423  0.185073  0.431508  1
  Zr  Zr32  1  0.675740  0.547928  0.487195  1
  Zr  Zr33  1  0.334083  0.003029  0.505454  1
  Zr  Zr34  1  0.333401  0.365883  0.561140  1
  Zr  Zr35  1  0.176423  0.865883  0.561140  1
  Zr  Zr36  1  0.175740  0.503029  0.505454  1
  Zr  Zr37  1  0.334299  0.729330  0.515075  1
  Zr  Zr38  1  0.333257  0.092352  0.570793  1
  Zr  Zr39  1  0.176567  0.592352  0.570793  1
  Zr  Zr40  1  0.175525  0.229330  0.515075  1
  Zr  Zr41  1  0.834386  0.684442  0.533288  1
  Zr  Zr42  1  0.834325  0.047189  0.589089  1
  Zr  Zr43  1  0.675499  0.547189  0.589089  1
  Zr  Zr44  1  0.675437  0.184442  0.533288  1
  Zr  Zr45  1  0.835678  0.773888  0.598584  1
  Zr  Zr46  1  0.833694  0.410868  0.542875  1
  Zr  Zr47  1  0.676130  0.910868  0.542875  1
  Zr  Zr48  1  0.674146  0.273888  0.598584  1
  Zr  Zr49  1  0.335452  0.729496  0.617084  1
  Zr  Zr50  1  0.337276  0.094067  0.672376  1
  Zr  Zr51  1  0.172547  0.594067  0.672376  1
  Zr  Zr52  1  0.174371  0.229496  0.617084  1
  Zr  Zr53  1  0.332728  0.454526  0.626472  1
  Zr  Zr54  1  0.333556  0.825872  0.683995  1
  Zr  Zr55  1  0.176267  0.325872  0.683995  1
  Zr  Zr56  1  0.177096  0.954526  0.626472  1
  Zr  Zr57  1  0.835337  0.409832  0.645277  1
  Zr  Zr58  1  0.841018  0.768667  0.699913  1
  Zr  Zr59  1  0.668806  0.268667  0.699913  1
  Zr  Zr60  1  0.674486  0.909832  0.645277  1
  Zr  Zr61  1  0.805915  0.501378  0.708582  1
  Zr  Zr62  1  0.836281  0.137585  0.653746  1
  Zr  Zr63  1  0.673543  0.637585  0.653746  1
  Zr  Zr64  1  0.703909  1.001378  0.708582  1
  Ni  Ni65  1  0.510909  0.278370  0.343319  1
  Ni  Ni66  1  0.512033  0.915001  0.290534  1
  Ni  Ni67  1  0.507686  0.459903  0.371464  1
  Ni  Ni68  1  0.508247  0.096743  0.316481  1
  Ni  Ni69  1  1.001577  0.596743  0.316481  1
  Ni  Ni70  1  1.002138  0.959903  0.371464  1
  Ni  Ni71  1  0.997791  0.415001  0.290534  1
  Ni  Ni72  1  0.998914  0.778370  0.343319  1
  Ni  Ni73  1  0.504767  0.003412  0.454557  1
  Ni  Ni74  1  0.503036  0.641055  0.399080  1
  Ni  Ni75  1  0.505021  0.184787  0.482427  1
  Ni  Ni76  1  0.503896  0.822183  0.426732  1
  Ni  Ni77  1  0.005928  0.322183  0.426732  1
  Ni  Ni78  1  1.004802  0.684787  0.482427  1
  Ni  Ni79  1  0.006788  0.141055  0.399080  1
  Ni  Ni80  1  0.005056  0.503412  0.454557  1
  Ni  Ni81  1  0.505928  0.728774  0.565916  1
  Ni  Ni82  1  0.504802  0.366170  0.510222  1
  Ni  Ni83  1  0.506788  0.909902  0.593568  1
  Ni  Ni84  1  0.505056  0.547545  0.538091  1
  Ni  Ni85  1  1.004767  0.047545  0.538091  1
  Ni  Ni86  1  1.003036  0.409902  0.593568  1
  Ni  Ni87  1  0.005021  0.866170  0.510222  1
  Ni  Ni88  1  1.003896  0.228774  0.565916  1
  Ni  Ni89  1  0.501577  0.454214  0.676168  1
  Ni  Ni90  1  0.502138  0.091054  0.621184  1
  Ni  Ni91  1  0.497791  0.635956  0.702115  1
  Ni  Ni92  1  0.498914  0.272586  0.649329  1
  Ni  Ni93  1  0.010909  0.772586  0.649329  1
  Ni  Ni94  1  0.012033  0.135956  0.702115  1
  Ni  Ni95  1  0.007686  0.591054  0.621184  1
  Ni  Ni96  1  0.008247  0.954214  0.676168  1
