# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32948656
_cell_length_b   20.39567055
_cell_length_c   55.40999101
_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   6022.9802588
_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  0.001729  0.129315  0.289932  1
  Zr  Zr2  1  0.001729  0.730842  0.363154  1
  Zr  Zr3  1  0.001729  0.430048  0.324189  1
  Zr  Zr4  1  0.501729  0.330270  0.313444  1
  Zr  Zr5  1  0.501729  0.928705  0.387177  1
  Zr  Zr6  1  0.501729  0.628426  0.350720  1
  Zr  Zr7  1  0.001729  0.263541  0.326003  1
  Zr  Zr8  1  0.001729  0.974296  0.291324  1
  Zr  Zr9  1  0.001729  0.563402  0.362800  1
  Zr  Zr10  1  0.501729  0.161887  0.313888  1
  Zr  Zr11  1  0.501729  0.762694  0.387362  1
  Zr  Zr12  1  0.501729  0.462769  0.349877  1
  Zr  Zr13  1  0.501729  0.230842  0.363154  1
  Zr  Zr14  1  0.501729  0.930048  0.324189  1
  Zr  Zr15  1  0.501729  0.629315  0.289932  1
  Zr  Zr16  1  0.001729  0.128426  0.350720  1
  Zr  Zr17  1  0.001729  0.830270  0.313444  1
  Zr  Zr18  1  0.001729  0.428705  0.387177  1
  Zr  Zr19  1  0.501729  0.063402  0.362800  1
  Zr  Zr20  1  0.501729  0.763541  0.326003  1
  Zr  Zr21  1  0.501729  0.474296  0.291324  1
  Zr  Zr22  1  0.001729  0.262694  0.387362  1
  Zr  Zr23  1  0.001729  0.962769  0.349877  1
  Zr  Zr24  1  0.001729  0.661887  0.313888  1
  Zr  Zr25  1  0.001729  0.029972  0.400203  1
  Zr  Zr26  1  0.001729  0.630256  0.474378  1
  Zr  Zr27  1  0.001729  0.330455  0.437161  1
  Zr  Zr28  1  0.501729  0.229126  0.424749  1
  Zr  Zr29  1  0.501729  0.828963  0.498923  1
  Zr  Zr30  1  0.501729  0.528858  0.461838  1
  Zr  Zr31  1  0.001729  0.163802  0.437033  1
  Zr  Zr32  1  0.001729  0.863902  0.399711  1
  Zr  Zr33  1  0.001729  0.463838  0.474123  1
  Zr  Zr34  1  0.501729  0.062250  0.424449  1
  Zr  Zr35  1  0.501729  0.662487  0.498711  1
  Zr  Zr36  1  0.501729  0.362571  0.461546  1
  Zr  Zr37  1  0.501729  0.130256  0.474378  1
  Zr  Zr38  1  0.501729  0.830455  0.437161  1
  Zr  Zr39  1  0.501729  0.529972  0.400203  1
  Zr  Zr40  1  0.001729  0.028858  0.461838  1
  Zr  Zr41  1  0.001729  0.729126  0.424749  1
  Zr  Zr42  1  0.001729  0.328963  0.498923  1
  Zr  Zr43  1  0.501729  0.963838  0.474123  1
  Zr  Zr44  1  0.501729  0.663802  0.437033  1
  Zr  Zr45  1  0.501729  0.363902  0.399711  1
  Zr  Zr46  1  0.001729  0.162487  0.498711  1
  Zr  Zr47  1  0.001729  0.862571  0.461546  1
  Zr  Zr48  1  0.001729  0.562250  0.424449  1
  Zr  Zr49  1  0.001729  0.930265  0.511493  1
  Zr  Zr50  1  0.001729  0.530368  0.585794  1
  Zr  Zr51  1  0.001729  0.230309  0.548621  1
  Zr  Zr52  1  0.501729  0.128954  0.536088  1
  Zr  Zr53  1  0.501729  0.728881  0.610300  1
  Zr  Zr54  1  0.501729  0.428926  0.573198  1
  Zr  Zr55  1  0.001729  0.063849  0.548385  1
  Zr  Zr56  1  0.001729  0.763837  0.511243  1
  Zr  Zr57  1  0.001729  0.363760  0.585564  1
  Zr  Zr58  1  0.501729  0.962475  0.535853  1
  Zr  Zr59  1  0.501729  0.562514  0.610028  1
  Zr  Zr60  1  0.501729  0.262476  0.572984  1
  Zr  Zr61  1  0.501729  0.030368  0.585794  1
  Zr  Zr62  1  0.501729  0.730309  0.548621  1
  Zr  Zr63  1  0.501729  0.430265  0.511493  1
  Zr  Zr64  1  0.001729  0.928926  0.573198  1
  Zr  Zr65  1  0.001729  0.628954  0.536088  1
  Zr  Zr66  1  0.001729  0.228881  0.610300  1
  Zr  Zr67  1  0.501729  0.863760  0.585564  1
  Zr  Zr68  1  0.501729  0.563849  0.548385  1
  Zr  Zr69  1  0.501729  0.263837  0.511243  1
  Zr  Zr70  1  0.001729  0.062514  0.610028  1
  Zr  Zr71  1  0.001729  0.762476  0.572984  1
  Zr  Zr72  1  0.001729  0.462475  0.535853  1
  Zr  Zr73  1  0.001729  0.830144  0.622901  1
  Zr  Zr74  1  0.001729  0.431162  0.696503  1
  Zr  Zr75  1  0.001729  0.130513  0.660074  1
  Zr  Zr76  1  0.501729  0.029667  0.647569  1
  Zr  Zr77  1  0.501729  0.619049  0.718757  1
  Zr  Zr78  1  0.501729  0.330208  0.684289  1
  Zr  Zr79  1  0.001729  0.964107  0.659765  1
  Zr  Zr80  1  0.001729  0.663860  0.622751  1
  Zr  Zr81  1  0.001729  0.262484  0.696043  1
  Zr  Zr82  1  0.501729  0.862311  0.647479  1
  Zr  Zr83  1  0.501729  0.466567  0.718895  1
  Zr  Zr84  1  0.501729  0.165065  0.686005  1
  Zr  Zr85  1  0.501729  0.931162  0.696503  1
  Zr  Zr86  1  0.501729  0.630513  0.660074  1
  Zr  Zr87  1  0.501729  0.330144  0.622901  1
  Zr  Zr88  1  0.001729  0.830208  0.684289  1
  Zr  Zr89  1  0.001729  0.529667  0.647569  1
  Zr  Zr90  1  0.001729  0.119049  0.718757  1
  Zr  Zr91  1  0.501729  0.762484  0.696043  1
  Zr  Zr92  1  0.501729  0.464107  0.659765  1
  Zr  Zr93  1  0.501729  0.163860  0.622751  1
  Zr  Zr94  1  0.001729  0.966567  0.718895  1
  Zr  Zr95  1  0.001729  0.665065  0.686005  1
  Zr  Zr96  1  0.001729  0.362311  0.647479  1
  Ni  Ni97  1  0.251047  0.347348  0.356178  1
  Ni  Ni98  1  0.252598  0.046982  0.320002  1
  Ni  Ni99  1  0.251023  0.744106  0.283915  1
  Ni  Ni100  1  0.752411  0.347348  0.356178  1
  Ni  Ni101  1  0.750861  0.046982  0.320002  1
  Ni  Ni102  1  0.752435  0.744106  0.283915  1
  Ni  Ni103  1  0.751023  0.244106  0.283915  1
  Ni  Ni104  1  0.751047  0.847348  0.356178  1
  Ni  Ni105  1  0.752598  0.546982  0.320002  1
  Ni  Ni106  1  0.252435  0.244106  0.283915  1
  Ni  Ni107  1  0.252411  0.847348  0.356178  1
  Ni  Ni108  1  0.250861  0.546982  0.320002  1
  Ni  Ni109  1  0.251655  0.246453  0.467966  1
  Ni  Ni110  1  0.252022  0.946247  0.430748  1
  Ni  Ni111  1  0.251551  0.646447  0.393953  1
  Ni  Ni112  1  0.751803  0.246453  0.467966  1
  Ni  Ni113  1  0.751437  0.946247  0.430748  1
  Ni  Ni114  1  0.751908  0.646447  0.393953  1
  Ni  Ni115  1  0.751551  0.146447  0.393953  1
  Ni  Ni116  1  0.751655  0.746453  0.467966  1
  Ni  Ni117  1  0.752022  0.446247  0.430748  1
  Ni  Ni118  1  0.251908  0.146447  0.393953  1
  Ni  Ni119  1  0.251803  0.746453  0.467966  1
  Ni  Ni120  1  0.251437  0.446247  0.430748  1
  Ni  Ni121  1  0.251891  0.146445  0.579386  1
  Ni  Ni122  1  0.251767  0.846373  0.542232  1
  Ni  Ni123  1  0.251712  0.546378  0.505120  1
  Ni  Ni124  1  0.751568  0.146445  0.579386  1
  Ni  Ni125  1  0.751691  0.846373  0.542232  1
  Ni  Ni126  1  0.751747  0.546378  0.505120  1
  Ni  Ni127  1  0.751712  0.046378  0.505120  1
  Ni  Ni128  1  0.751891  0.646445  0.579386  1
  Ni  Ni129  1  0.751767  0.346373  0.542232  1
  Ni  Ni130  1  0.251747  0.046378  0.505120  1
  Ni  Ni131  1  0.251568  0.646445  0.579386  1
  Ni  Ni132  1  0.251691  0.346373  0.542232  1
  Ni  Ni133  1  0.253635  0.046642  0.690124  1
  Ni  Ni134  1  0.250570  0.746160  0.653950  1
  Ni  Ni135  1  0.251426  0.446262  0.616396  1
  Ni  Ni136  1  0.749823  0.046642  0.690124  1
  Ni  Ni137  1  0.752889  0.746160  0.653950  1
  Ni  Ni138  1  0.752032  0.446262  0.616396  1
  Ni  Ni139  1  0.751426  0.946262  0.616396  1
  Ni  Ni140  1  0.753635  0.546642  0.690124  1
  Ni  Ni141  1  0.750570  0.246160  0.653950  1
  Ni  Ni142  1  0.252032  0.946262  0.616396  1
  Ni  Ni143  1  0.249823  0.546642  0.690124  1
  Ni  Ni144  1  0.252889  0.246160  0.653950  1
