# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40834503
_cell_length_b   13.87003131
_cell_length_c   54.35645750
_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   'Zr80 Ni40'
_cell_volume   4831.4164426
_cell_formula_units_Z   40
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  0.323934  0.568544  0.299134  1
  Zr  Zr2  1  0.338249  0.142095  0.346823  1
  Zr  Zr3  1  0.183587  0.782016  0.279024  1
  Zr  Zr4  1  0.171303  0.355347  0.324205  1
  Zr  Zr5  1  0.341669  0.925194  0.316951  1
  Zr  Zr6  1  0.334784  0.342440  0.272946  1
  Zr  Zr7  1  0.173672  0.710201  0.339007  1
  Zr  Zr8  1  0.183402  0.132508  0.293340  1
  Zr  Zr9  1  0.838014  0.855347  0.324205  1
  Zr  Zr10  1  0.825730  0.282016  0.279024  1
  Zr  Zr11  1  0.671068  0.642095  0.346823  1
  Zr  Zr12  1  0.685383  0.068544  0.299134  1
  Zr  Zr13  1  0.825915  0.632508  0.293340  1
  Zr  Zr14  1  0.835645  0.210201  0.339007  1
  Zr  Zr15  1  0.674533  0.842440  0.272946  1
  Zr  Zr16  1  0.667648  0.425194  0.316951  1
  Zr  Zr17  1  0.332931  0.714576  0.392588  1
  Zr  Zr18  1  0.334469  0.286034  0.438049  1
  Zr  Zr19  1  0.174247  0.928782  0.369989  1
  Zr  Zr20  1  0.174695  0.500300  0.415272  1
  Zr  Zr21  1  0.335027  0.069259  0.407906  1
  Zr  Zr22  1  0.332786  0.498009  0.362338  1
  Zr  Zr23  1  0.174834  0.854830  0.430832  1
  Zr  Zr24  1  0.174565  0.283053  0.385226  1
  Zr  Zr25  1  0.834622  1.000300  0.415272  1
  Zr  Zr26  1  0.835070  0.428782  0.369989  1
  Zr  Zr27  1  0.674847  0.786034  0.438049  1
  Zr  Zr28  1  0.676385  0.214576  0.392588  1
  Zr  Zr29  1  0.834752  0.783053  0.385226  1
  Zr  Zr30  1  0.834483  0.354830  0.430832  1
  Zr  Zr31  1  0.676531  0.998009  0.362338  1
  Zr  Zr32  1  0.674289  0.569259  0.407906  1
  Zr  Zr33  1  0.334447  0.857444  0.483588  1
  Zr  Zr34  1  0.334278  0.428845  0.529090  1
  Zr  Zr35  1  0.175232  0.071722  0.460806  1
  Zr  Zr36  1  0.174966  0.643151  0.506335  1
  Zr  Zr37  1  0.334408  0.211942  0.499036  1
  Zr  Zr38  1  0.334251  0.640523  0.453528  1
  Zr  Zr39  1  0.175115  0.997681  0.521783  1
  Zr  Zr40  1  0.175019  0.426240  0.476285  1
  Zr  Zr41  1  0.834351  0.143151  0.506335  1
  Zr  Zr42  1  0.834085  0.571722  0.460806  1
  Zr  Zr43  1  0.675039  0.928845  0.529090  1
  Zr  Zr44  1  0.674870  0.357444  0.483588  1
  Zr  Zr45  1  0.834298  0.926240  0.476285  1
  Zr  Zr46  1  0.834202  0.497681  0.521783  1
  Zr  Zr47  1  0.675066  0.140523  0.453528  1
  Zr  Zr48  1  0.674909  0.711942  0.499036  1
  Zr  Zr49  1  0.335036  1.000143  0.574609  1
  Zr  Zr50  1  0.333722  0.571658  0.620262  1
  Zr  Zr51  1  0.174886  0.214587  0.551822  1
  Zr  Zr52  1  0.174652  0.786112  0.597449  1
  Zr  Zr53  1  0.333692  0.354776  0.590124  1
  Zr  Zr54  1  0.334397  0.783373  0.544570  1
  Zr  Zr55  1  0.175361  0.140430  0.612725  1
  Zr  Zr56  1  0.174822  0.569139  0.567306  1
  Zr  Zr57  1  0.834665  0.286112  0.597449  1
  Zr  Zr58  1  0.834431  0.714587  0.551822  1
  Zr  Zr59  1  0.675595  0.071658  0.620262  1
  Zr  Zr60  1  0.674281  0.500143  0.574609  1
  Zr  Zr61  1  0.834495  0.069139  0.567306  1
  Zr  Zr62  1  0.833956  0.640430  0.612725  1
  Zr  Zr63  1  0.674920  0.283373  0.544570  1
  Zr  Zr64  1  0.675625  0.854776  0.590124  1
  Zr  Zr65  1  0.338208  0.143675  0.665664  1
  Zr  Zr66  1  0.332701  0.722292  0.710321  1
  Zr  Zr67  1  0.174027  0.358219  0.643314  1
  Zr  Zr68  1  0.181021  0.937123  0.688808  1
  Zr  Zr69  1  0.323230  0.500583  0.682401  1
  Zr  Zr70  1  0.336747  0.926770  0.635609  1
  Zr  Zr71  1  0.180212  0.284653  0.704041  1
  Zr  Zr72  1  0.170894  0.713287  0.658405  1
  Zr  Zr73  1  0.828296  0.437123  0.688808  1
  Zr  Zr74  1  0.835290  0.858219  0.643314  1
  Zr  Zr75  1  0.676616  0.222292  0.710321  1
  Zr  Zr76  1  0.671109  0.643675  0.665664  1
  Zr  Zr77  1  0.838423  0.213287  0.658405  1
  Zr  Zr78  1  0.829105  0.784653  0.704041  1
  Zr  Zr79  1  0.672570  0.426770  0.635609  1
  Zr  Zr80  1  0.686087  1.000583  0.682401  1
  Ni  Ni81  1  0.503458  0.820936  0.355662  1
  Ni  Ni82  1  0.504927  0.245789  0.310452  1
  Ni  Ni83  1  0.504390  0.745789  0.310452  1
  Ni  Ni84  1  0.505859  0.320936  0.355662  1
  Ni  Ni85  1  0.006276  0.956463  0.288047  1
  Ni  Ni86  1  1.003441  0.534877  0.332017  1
  Ni  Ni87  1  0.005876  0.034877  0.332017  1
  Ni  Ni88  1  1.003041  0.456463  0.288047  1
  Ni  Ni89  1  0.504861  0.963504  0.445882  1
  Ni  Ni90  1  0.504517  0.392353  0.400578  1
  Ni  Ni91  1  0.504800  0.892353  0.400578  1
  Ni  Ni92  1  0.504455  0.463504  0.445882  1
  Ni  Ni93  1  0.004894  0.106693  0.377769  1
  Ni  Ni94  1  1.004106  0.677613  0.423251  1
  Ni  Ni95  1  0.005211  0.177613  0.423251  1
  Ni  Ni96  1  1.004423  0.606693  0.377769  1
  Ni  Ni97  1  0.504789  0.105983  0.536709  1
  Ni  Ni98  1  0.504649  0.534702  0.491298  1
  Ni  Ni99  1  0.504668  0.034702  0.491298  1
  Ni  Ni100  1  0.504527  0.605983  0.536709  1
  Ni  Ni101  1  0.004841  0.248988  0.468626  1
  Ni  Ni102  1  0.004790  0.820364  0.513999  1
  Ni  Ni103  1  1.004527  0.320364  0.513999  1
  Ni  Ni104  1  1.004476  0.748988  0.468626  1
  Ni  Ni105  1  0.504068  0.248157  0.627050  1
  Ni  Ni106  1  0.504450  0.677108  0.582039  1
  Ni  Ni107  1  0.504867  0.177108  0.582039  1
  Ni  Ni108  1  0.505249  0.748157  0.627050  1
  Ni  Ni109  1  1.004460  0.391607  0.559358  1
  Ni  Ni110  1  1.004490  0.962664  0.604565  1
  Ni  Ni111  1  0.004827  0.462664  0.604565  1
  Ni  Ni112  1  0.004857  0.891607  0.559358  1
  Ni  Ni113  1  0.503014  0.394819  0.716508  1
  Ni  Ni114  1  0.504423  0.822933  0.672682  1
  Ni  Ni115  1  0.504894  0.322933  0.672682  1
  Ni  Ni116  1  0.506302  0.894819  0.716508  1
  Ni  Ni117  1  1.003879  0.534057  0.650012  1
  Ni  Ni118  1  0.005436  0.110136  0.694338  1
  Ni  Ni119  1  1.003881  0.610136  0.694338  1
  Ni  Ni120  1  0.005438  0.034057  0.650012  1
