# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43036752
_cell_length_b   20.03713713
_cell_length_c   46.67615760
_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   6014.04347242
_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  0.827416  0.765796  0.322343  1
  Zr  Zr2  1  0.836974  0.455974  0.360840  1
  Zr  Zr3  1  0.831568  0.076086  0.287863  1
  Zr  Zr4  1  0.170860  0.801397  0.379339  1
  Zr  Zr5  1  0.178076  0.422025  0.304759  1
  Zr  Zr6  1  0.170282  0.111260  0.342514  1
  Zr  Zr7  1  0.331528  0.814311  0.317224  1
  Zr  Zr8  1  0.336134  0.506849  0.354802  1
  Zr  Zr9  1  0.337811  0.122016  0.282777  1
  Zr  Zr10  1  0.672338  0.851751  0.372929  1
  Zr  Zr11  1  0.677171  0.469243  0.299297  1
  Zr  Zr12  1  0.670501  0.162256  0.336630  1
  Zr  Zr13  1  0.331568  0.576086  0.287863  1
  Zr  Zr14  1  0.327416  0.265796  0.322343  1
  Zr  Zr15  1  0.336974  0.955974  0.360840  1
  Zr  Zr16  1  0.670282  0.611260  0.342514  1
  Zr  Zr17  1  0.670860  0.301397  0.379339  1
  Zr  Zr18  1  0.678076  0.922025  0.304759  1
  Zr  Zr19  1  0.837811  0.622016  0.282777  1
  Zr  Zr20  1  0.831528  0.314311  0.317224  1
  Zr  Zr21  1  0.836134  0.006849  0.354802  1
  Zr  Zr22  1  0.170501  0.662256  0.336630  1
  Zr  Zr23  1  0.172338  0.351751  0.372929  1
  Zr  Zr24  1  0.177171  0.969243  0.299297  1
  Zr  Zr25  1  0.834580  0.836847  0.435064  1
  Zr  Zr26  1  0.834784  0.526861  0.472317  1
  Zr  Zr27  1  0.834821  0.146767  0.398360  1
  Zr  Zr28  1  0.172382  0.871977  0.490837  1
  Zr  Zr29  1  0.172928  0.491439  0.416687  1
  Zr  Zr30  1  0.172339  0.181923  0.453782  1
  Zr  Zr31  1  0.334922  0.887131  0.428970  1
  Zr  Zr32  1  0.334695  0.577432  0.466270  1
  Zr  Zr33  1  0.333997  0.197506  0.392055  1
  Zr  Zr34  1  0.672359  0.922428  0.484777  1
  Zr  Zr35  1  0.672342  0.542055  0.410671  1
  Zr  Zr36  1  0.672142  0.232497  0.447665  1
  Zr  Zr37  1  0.334821  0.646767  0.398360  1
  Zr  Zr38  1  0.334580  0.336847  0.435064  1
  Zr  Zr39  1  0.334784  0.026861  0.472317  1
  Zr  Zr40  1  0.672339  0.681923  0.453782  1
  Zr  Zr41  1  0.672382  0.371977  0.490837  1
  Zr  Zr42  1  0.672928  0.991439  0.416687  1
  Zr  Zr43  1  0.833997  0.697506  0.392055  1
  Zr  Zr44  1  0.834922  0.387131  0.428970  1
  Zr  Zr45  1  0.834695  0.077432  0.466270  1
  Zr  Zr46  1  0.172142  0.732497  0.447665  1
  Zr  Zr47  1  0.172359  0.422428  0.484777  1
  Zr  Zr48  1  0.172342  0.042055  0.410671  1
  Zr  Zr49  1  0.834931  0.907093  0.546529  1
  Zr  Zr50  1  0.834732  0.597535  0.583523  1
  Zr  Zr51  1  0.834714  0.217163  0.509417  1
  Zr  Zr52  1  0.173077  0.942084  0.602139  1
  Zr  Zr53  1  0.172378  0.562159  0.527925  1
  Zr  Zr54  1  0.172152  0.252460  0.565224  1
  Zr  Zr55  1  0.334735  0.957668  0.540412  1
  Zr  Zr56  1  0.334146  0.648151  0.577507  1
  Zr  Zr57  1  0.334692  0.267613  0.503357  1
  Zr  Zr58  1  0.672253  0.992824  0.595834  1
  Zr  Zr59  1  0.672290  0.612730  0.521878  1
  Zr  Zr60  1  0.672493  0.302743  0.559130  1
  Zr  Zr61  1  0.334714  0.717163  0.509417  1
  Zr  Zr62  1  0.334931  0.407093  0.546529  1
  Zr  Zr63  1  0.334732  0.097535  0.583523  1
  Zr  Zr64  1  0.672152  0.752460  0.565224  1
  Zr  Zr65  1  0.673077  0.442084  0.602139  1
  Zr  Zr66  1  0.672378  0.062159  0.527925  1
  Zr  Zr67  1  0.834692  0.767613  0.503357  1
  Zr  Zr68  1  0.834735  0.457668  0.540412  1
  Zr  Zr69  1  0.834146  0.148151  0.577507  1
  Zr  Zr70  1  0.172493  0.802743  0.559130  1
  Zr  Zr71  1  0.172253  0.492824  0.595834  1
  Zr  Zr72  1  0.172290  0.112730  0.521878  1
  Zr  Zr73  1  0.836573  0.977335  0.657564  1
  Zr  Zr74  1  0.829903  0.670348  0.694897  1
  Zr  Zr75  1  0.834736  0.287839  0.621265  1
  Zr  Zr76  1  0.169262  0.017575  0.711417  1
  Zr  Zr77  1  0.170939  0.632742  0.639392  1
  Zr  Zr78  1  0.175545  0.325279  0.676970  1
  Zr  Zr79  1  0.336791  0.028330  0.651680  1
  Zr  Zr80  1  0.328998  0.717565  0.689436  1
  Zr  Zr81  1  0.336214  0.338193  0.614855  1
  Zr  Zr82  1  0.675505  0.063505  0.706331  1
  Zr  Zr83  1  0.670100  0.683616  0.633354  1
  Zr  Zr84  1  0.679657  0.373794  0.671851  1
  Zr  Zr85  1  0.334736  0.787839  0.621265  1
  Zr  Zr86  1  0.336573  0.477335  0.657564  1
  Zr  Zr87  1  0.329903  0.170348  0.694897  1
  Zr  Zr88  1  0.675545  0.825279  0.676970  1
  Zr  Zr89  1  0.669262  0.517575  0.711417  1
  Zr  Zr90  1  0.670939  0.132742  0.639392  1
  Zr  Zr91  1  0.836214  0.838193  0.614855  1
  Zr  Zr92  1  0.836791  0.528330  0.651680  1
  Zr  Zr93  1  0.828998  0.217565  0.689436  1
  Zr  Zr94  1  0.179657  0.873794  0.671851  1
  Zr  Zr95  1  0.175505  0.563505  0.706331  1
  Zr  Zr96  1  0.170100  0.183616  0.633354  1
  Ni  Ni97  1  0.003579  0.851637  0.285530  1
  Ni  Ni98  1  0.004703  0.541450  0.321876  1
  Ni  Ni99  1  1.003416  0.232049  0.357998  1
  Ni  Ni100  1  0.004287  0.885740  0.339255  1
  Ni  Ni101  1  0.004060  0.576867  0.377073  1
  Ni  Ni102  1  0.004864  0.194019  0.303831  1
  Ni  Ni103  1  0.503416  0.732049  0.357998  1
  Ni  Ni104  1  0.503579  0.351637  0.285530  1
  Ni  Ni105  1  0.504703  0.041450  0.321876  1
  Ni  Ni106  1  0.504864  0.694019  0.303831  1
  Ni  Ni107  1  0.504287  0.385740  0.339255  1
  Ni  Ni108  1  0.504060  0.076867  0.377073  1
  Ni  Ni109  1  0.003810  0.921912  0.395204  1
  Ni  Ni110  1  1.003272  0.612093  0.432246  1
  Ni  Ni111  1  1.003532  0.302246  0.469273  1
  Ni  Ni112  1  0.003855  0.957038  0.450787  1
  Ni  Ni113  1  0.003564  0.647302  0.487814  1
  Ni  Ni114  1  1.003356  0.267206  0.413664  1
  Ni  Ni115  1  0.503532  0.802246  0.469273  1
  Ni  Ni116  1  0.503810  0.421912  0.395204  1
  Ni  Ni117  1  0.503272  0.112093  0.432246  1
  Ni  Ni118  1  0.503356  0.767206  0.413664  1
  Ni  Ni119  1  0.503855  0.457038  0.450787  1
  Ni  Ni120  1  0.503564  0.147302  0.487814  1
  Ni  Ni121  1  1.003510  0.992288  0.506380  1
  Ni  Ni122  1  1.003219  0.682552  0.543408  1
  Ni  Ni123  1  0.003718  0.372384  0.580531  1
  Ni  Ni124  1  0.003802  0.027497  0.561948  1
  Ni  Ni125  1  1.003264  0.717678  0.598990  1
  Ni  Ni126  1  0.003542  0.337345  0.524921  1
  Ni  Ni127  1  0.503718  0.872384  0.580531  1
  Ni  Ni128  1  0.503510  0.492288  0.506380  1
  Ni  Ni129  1  0.503219  0.182552  0.543408  1
  Ni  Ni130  1  0.503542  0.837345  0.524921  1
  Ni  Ni131  1  0.503802  0.527497  0.561948  1
  Ni  Ni132  1  0.503264  0.217678  0.598990  1
  Ni  Ni133  1  1.003014  0.062724  0.617121  1
  Ni  Ni134  1  1.002787  0.753851  0.654939  1
  Ni  Ni135  1  1.002210  0.445571  0.690363  1
  Ni  Ni136  1  1.002371  0.098140  0.672318  1
  Ni  Ni137  1  1.003494  0.787953  0.708664  1
  Ni  Ni138  1  0.003658  0.407541  0.636196  1
  Ni  Ni139  1  0.502210  0.945571  0.690363  1
  Ni  Ni140  1  0.503014  0.562724  0.617121  1
  Ni  Ni141  1  0.502787  0.253851  0.654939  1
  Ni  Ni142  1  0.503658  0.907541  0.636196  1
  Ni  Ni143  1  0.502371  0.598140  0.672318  1
  Ni  Ni144  1  0.503494  0.287953  0.708664  1
