# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.62439976
_cell_length_b   10.60335446
_cell_length_c   47.47997799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.28752708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5542.92133348
_cell_formula_units_Z   72
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  0.976396  0.744086  0.305004  1
  Zr  Zr2  1  0.976396  0.244086  0.305004  1
  Zr  Zr3  1  0.124292  0.932840  0.331170  1
  Zr  Zr4  1  0.124292  0.432840  0.331170  1
  Zr  Zr5  1  0.500561  0.824585  0.290720  1
  Zr  Zr6  1  0.500561  0.324585  0.290720  1
  Zr  Zr7  1  0.690450  0.009097  0.304585  1
  Zr  Zr8  1  0.690450  0.509097  0.304585  1
  Zr  Zr9  1  0.850040  0.608837  0.354663  1
  Zr  Zr10  1  0.850040  0.108837  0.354663  1
  Zr  Zr11  1  0.039866  0.757777  0.378099  1
  Zr  Zr12  1  0.039866  0.257777  0.378099  1
  Zr  Zr13  1  0.421342  0.633218  0.333765  1
  Zr  Zr14  1  0.421342  0.133218  0.333765  1
  Zr  Zr15  1  0.601171  0.836159  0.352384  1
  Zr  Zr16  1  0.601171  0.336159  0.352384  1
  Zr  Zr17  1  0.763393  0.436945  0.402267  1
  Zr  Zr18  1  0.763393  0.936945  0.402267  1
  Zr  Zr19  1  0.914317  0.628543  0.427267  1
  Zr  Zr20  1  0.914317  0.128543  0.427267  1
  Zr  Zr21  1  0.289836  0.523883  0.382424  1
  Zr  Zr22  1  0.289836  0.023883  0.382424  1
  Zr  Zr23  1  0.468954  0.716439  0.400782  1
  Zr  Zr24  1  0.468954  0.216439  0.400782  1
  Zr  Zr25  1  0.633964  0.314685  0.451645  1
  Zr  Zr26  1  0.633964  0.814685  0.451645  1
  Zr  Zr27  1  0.819603  0.483636  0.474120  1
  Zr  Zr28  1  0.819603  0.983636  0.474120  1
  Zr  Zr29  1  0.197299  0.358576  0.429294  1
  Zr  Zr30  1  0.197299  0.858576  0.429294  1
  Zr  Zr31  1  0.379186  0.548769  0.449853  1
  Zr  Zr32  1  0.379186  0.048769  0.449853  1
  Zr  Zr33  1  0.544284  0.149274  0.499923  1
  Zr  Zr34  1  0.544284  0.649274  0.499923  1
  Zr  Zr35  1  0.712915  0.341410  0.521535  1
  Zr  Zr36  1  0.712915  0.841410  0.521535  1
  Zr  Zr37  1  0.089672  0.229160  0.477315  1
  Zr  Zr38  1  0.089672  0.729160  0.477315  1
  Zr  Zr39  1  0.258302  0.421296  0.498927  1
  Zr  Zr40  1  0.258302  0.921296  0.498927  1
  Zr  Zr41  1  0.423401  0.021801  0.548998  1
  Zr  Zr42  1  0.423401  0.521801  0.548998  1
  Zr  Zr43  1  0.605288  0.211994  0.569557  1
  Zr  Zr44  1  0.605288  0.711994  0.569557  1
  Zr  Zr45  1  0.982983  0.086934  0.524731  1
  Zr  Zr46  1  0.982983  0.586934  0.524731  1
  Zr  Zr47  1  0.168623  0.255885  0.547205  1
  Zr  Zr48  1  0.168623  0.755885  0.547205  1
  Zr  Zr49  1  0.333633  0.854131  0.598069  1
  Zr  Zr50  1  0.333633  0.354131  0.598069  1
  Zr  Zr51  1  0.512750  0.046687  0.616426  1
  Zr  Zr52  1  0.512750  0.546687  0.616426  1
  Zr  Zr53  1  0.888270  0.942027  0.571583  1
  Zr  Zr54  1  0.888270  0.442027  0.571583  1
  Zr  Zr55  1  0.039194  0.133625  0.596584  1
  Zr  Zr56  1  0.039194  0.633625  0.596584  1
  Zr  Zr57  1  0.201416  0.734411  0.646466  1
  Zr  Zr58  1  0.201416  0.234411  0.646466  1
  Zr  Zr59  1  0.381244  0.937352  0.665086  1
  Zr  Zr60  1  0.381244  0.437352  0.665086  1
  Zr  Zr61  1  0.762721  0.812793  0.620752  1
  Zr  Zr62  1  0.762721  0.312793  0.620752  1
  Zr  Zr63  1  0.952546  0.961733  0.644187  1
  Zr  Zr64  1  0.952546  0.461733  0.644187  1
  Zr  Zr65  1  0.112137  0.561473  0.694265  1
  Zr  Zr66  1  0.112137  0.061473  0.694265  1
  Zr  Zr67  1  0.302026  0.745985  0.708131  1
  Zr  Zr68  1  0.302026  0.245985  0.708131  1
  Zr  Zr69  1  0.678295  0.637730  0.667680  1
  Zr  Zr70  1  0.678295  0.137730  0.667680  1
  Zr  Zr71  1  0.826190  0.826484  0.693846  1
  Zr  Zr72  1  0.826190  0.326484  0.693846  1
  Ni  Ni73  1  0.274559  0.780032  0.295602  1
  Ni  Ni74  1  0.274559  0.280032  0.295602  1
  Ni  Ni75  1  0.911856  0.010796  0.303189  1
  Ni  Ni76  1  0.911856  0.510796  0.303189  1
  Ni  Ni77  1  0.744415  0.740847  0.306599  1
  Ni  Ni78  1  0.744415  0.240847  0.306599  1
  Ni  Ni79  1  0.359337  0.901278  0.334316  1
  Ni  Ni80  1  0.359337  0.401278  0.334316  1
  Ni  Ni81  1  0.192174  0.651803  0.333002  1
  Ni  Ni82  1  0.192174  0.151803  0.333002  1
  Ni  Ni83  1  0.832541  0.872368  0.344671  1
  Ni  Ni84  1  0.832541  0.372368  0.344671  1
  Ni  Ni85  1  0.632553  0.572063  0.361298  1
  Ni  Ni86  1  0.632553  0.072063  0.361298  1
  Ni  Ni87  1  0.256928  0.789658  0.371215  1
  Ni  Ni88  1  0.256928  0.289658  0.371215  1
  Ni  Ni89  1  0.060325  0.494147  0.387437  1
  Ni  Ni90  1  0.060325  0.994147  0.387437  1
  Ni  Ni91  1  0.695688  0.706982  0.401115  1
  Ni  Ni92  1  0.695688  0.206982  0.401115  1
  Ni  Ni93  1  0.528478  0.452475  0.402141  1
  Ni  Ni94  1  0.528478  0.952475  0.402141  1
  Ni  Ni95  1  0.143381  0.620556  0.427698  1
  Ni  Ni96  1  0.143381  0.120556  0.427698  1
  Ni  Ni97  1  0.972659  0.356476  0.431927  1
  Ni  Ni98  1  0.972659  0.856476  0.431927  1
  Ni  Ni99  1  0.608447  0.579538  0.442279  1
  Ni  Ni100  1  0.608447  0.079538  0.442279  1
  Ni  Ni101  1  0.412318  0.282674  0.458189  1
  Ni  Ni102  1  0.412318  0.782674  0.458189  1
  Ni  Ni103  1  0.044562  0.497754  0.470039  1
  Ni  Ni104  1  0.044562  0.997754  0.470039  1
  Ni  Ni105  1  0.859871  0.218243  0.480202  1
  Ni  Ni106  1  0.859871  0.718243  0.480202  1
  Ni  Ni107  1  0.485793  0.414955  0.497870  1
  Ni  Ni108  1  0.485793  0.914955  0.497870  1
  Ni  Ni109  1  0.316793  0.155615  0.500981  1
  Ni  Ni110  1  0.316793  0.655615  0.500981  1
  Ni  Ni111  1  0.942716  0.352327  0.518649  1
  Ni  Ni112  1  0.942716  0.852327  0.518649  1
  Ni  Ni113  1  0.758025  0.072816  0.528811  1
  Ni  Ni114  1  0.758025  0.572816  0.528811  1
  Ni  Ni115  1  0.390269  0.287896  0.540661  1
  Ni  Ni116  1  0.390269  0.787896  0.540661  1
  Ni  Ni117  1  0.194140  0.991032  0.556572  1
  Ni  Ni118  1  0.194140  0.491032  0.556572  1
  Ni  Ni119  1  0.829928  0.214094  0.566923  1
  Ni  Ni120  1  0.829928  0.714094  0.566923  1
  Ni  Ni121  1  0.659206  0.950014  0.571152  1
  Ni  Ni122  1  0.659206  0.450014  0.571152  1
  Ni  Ni123  1  0.274108  0.118095  0.596709  1
  Ni  Ni124  1  0.274108  0.618095  0.596709  1
  Ni  Ni125  1  0.106899  0.863588  0.597735  1
  Ni  Ni126  1  0.106899  0.363588  0.597735  1
  Ni  Ni127  1  0.742262  0.076423  0.611414  1
  Ni  Ni128  1  0.742262  0.576423  0.611414  1
  Ni  Ni129  1  0.545659  0.780912  0.627635  1
  Ni  Ni130  1  0.545659  0.280912  0.627635  1
  Ni  Ni131  1  0.170034  0.998507  0.637553  1
  Ni  Ni132  1  0.170034  0.498507  0.637553  1
  Ni  Ni133  1  0.970046  0.698202  0.654179  1
  Ni  Ni134  1  0.970046  0.198202  0.654179  1
  Ni  Ni135  1  0.610413  0.918767  0.665848  1
  Ni  Ni136  1  0.610413  0.418767  0.665848  1
  Ni  Ni137  1  0.443250  0.669292  0.664535  1
  Ni  Ni138  1  0.443250  0.169292  0.664535  1
  Ni  Ni139  1  0.058172  0.829723  0.692251  1
  Ni  Ni140  1  0.058172  0.329723  0.692251  1
  Ni  Ni141  1  0.890731  0.559774  0.695662  1
  Ni  Ni142  1  0.890731  0.059774  0.695662  1
  Ni  Ni143  1  0.528028  0.790538  0.703249  1
  Ni  Ni144  1  0.528028  0.290538  0.703249  1
