# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12462943
_cell_length_b   10.53613721
_cell_length_c   46.50261382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.38239521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5442.97512035
_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  0.958713  0.803790  0.302798  1
  Zr  Zr2  1  0.958713  0.303790  0.302798  1
  Zr  Zr3  1  0.137862  0.473180  0.323322  1
  Zr  Zr4  1  0.137862  0.973180  0.323322  1
  Zr  Zr5  1  0.511049  0.902553  0.281291  1
  Zr  Zr6  1  0.511049  0.402553  0.281291  1
  Zr  Zr7  1  0.691325  0.568975  0.299831  1
  Zr  Zr8  1  0.691325  0.068975  0.299831  1
  Zr  Zr9  1  0.853662  0.621237  0.350093  1
  Zr  Zr10  1  0.853662  0.121237  0.350093  1
  Zr  Zr11  1  0.028970  0.290040  0.372725  1
  Zr  Zr12  1  0.028970  0.790040  0.372725  1
  Zr  Zr13  1  0.408465  0.705874  0.324477  1
  Zr  Zr14  1  0.408465  0.205874  0.324477  1
  Zr  Zr15  1  0.584175  0.378625  0.347604  1
  Zr  Zr16  1  0.584175  0.878625  0.347604  1
  Zr  Zr17  1  0.742451  0.440402  0.400799  1
  Zr  Zr18  1  0.742451  0.940402  0.400799  1
  Zr  Zr19  1  0.916560  0.110568  0.423009  1
  Zr  Zr20  1  0.916560  0.610568  0.423009  1
  Zr  Zr21  1  0.297272  0.532895  0.375708  1
  Zr  Zr22  1  0.297272  0.032895  0.375708  1
  Zr  Zr23  1  0.471193  0.201376  0.397881  1
  Zr  Zr24  1  0.471193  0.701376  0.397881  1
  Zr  Zr25  1  0.630397  0.261804  0.450938  1
  Zr  Zr26  1  0.630397  0.761804  0.450938  1
  Zr  Zr27  1  0.804744  0.931568  0.473387  1
  Zr  Zr28  1  0.804744  0.431568  0.473387  1
  Zr  Zr29  1  0.186520  0.350852  0.425376  1
  Zr  Zr30  1  0.186520  0.850852  0.425376  1
  Zr  Zr31  1  0.360314  0.021417  0.448287  1
  Zr  Zr32  1  0.360314  0.521417  0.448287  1
  Zr  Zr33  1  0.518918  0.082241  0.501099  1
  Zr  Zr34  1  0.518918  0.582241  0.501099  1
  Zr  Zr35  1  0.693528  0.751578  0.523403  1
  Zr  Zr36  1  0.693528  0.251578  0.523403  1
  Zr  Zr37  1  0.074416  0.172335  0.475973  1
  Zr  Zr38  1  0.074416  0.672335  0.475973  1
  Zr  Zr39  1  0.249026  0.841672  0.498278  1
  Zr  Zr40  1  0.249026  0.341672  0.498278  1
  Zr  Zr41  1  0.407630  0.902496  0.551090  1
  Zr  Zr42  1  0.407630  0.402496  0.551090  1
  Zr  Zr43  1  0.581424  0.573062  0.574000  1
  Zr  Zr44  1  0.581424  0.073062  0.574000  1
  Zr  Zr45  1  0.963200  0.992345  0.525990  1
  Zr  Zr46  1  0.963200  0.492345  0.525990  1
  Zr  Zr47  1  0.137547  0.662109  0.548439  1
  Zr  Zr48  1  0.137547  0.162109  0.548439  1
  Zr  Zr49  1  0.296751  0.722538  0.601496  1
  Zr  Zr50  1  0.296751  0.222538  0.601496  1
  Zr  Zr51  1  0.470672  0.391019  0.623668  1
  Zr  Zr52  1  0.470672  0.891019  0.623668  1
  Zr  Zr53  1  0.851384  0.813345  0.576368  1
  Zr  Zr54  1  0.851384  0.313345  0.576368  1
  Zr  Zr55  1  0.025493  0.483512  0.598577  1
  Zr  Zr56  1  0.025493  0.983512  0.598577  1
  Zr  Zr57  1  0.183769  0.545288  0.651772  1
  Zr  Zr58  1  0.183769  0.045288  0.651772  1
  Zr  Zr59  1  0.359479  0.218040  0.674900  1
  Zr  Zr60  1  0.359479  0.718040  0.674900  1
  Zr  Zr61  1  0.738974  0.633874  0.626651  1
  Zr  Zr62  1  0.738974  0.133874  0.626651  1
  Zr  Zr63  1  0.914282  0.302677  0.649283  1
  Zr  Zr64  1  0.914282  0.802677  0.649283  1
  Zr  Zr65  1  0.076619  0.354939  0.699545  1
  Zr  Zr66  1  0.076619  0.854939  0.699545  1
  Zr  Zr67  1  0.256895  0.021361  0.718085  1
  Zr  Zr68  1  0.256895  0.521361  0.718085  1
  Zr  Zr69  1  0.630082  0.450733  0.676055  1
  Zr  Zr70  1  0.630082  0.950733  0.676055  1
  Zr  Zr71  1  0.809231  0.120123  0.696578  1
  Zr  Zr72  1  0.809231  0.620123  0.696578  1
  Ni  Ni73  1  0.298234  0.876483  0.279971  1
  Ni  Ni74  1  0.298234  0.376483  0.279971  1
  Ni  Ni75  1  0.918217  0.570668  0.294305  1
  Ni  Ni76  1  0.918217  0.070668  0.294305  1
  Ni  Ni77  1  0.739022  0.794302  0.302455  1
  Ni  Ni78  1  0.739022  0.294302  0.302455  1
  Ni  Ni79  1  0.359198  0.477993  0.321649  1
  Ni  Ni80  1  0.359198  0.977993  0.321649  1
  Ni  Ni81  1  0.184021  0.701557  0.326771  1
  Ni  Ni82  1  0.184021  0.201557  0.326771  1
  Ni  Ni83  1  0.807184  0.393592  0.344433  1
  Ni  Ni84  1  0.807184  0.893592  0.344433  1
  Ni  Ni85  1  0.626807  0.608649  0.354309  1
  Ni  Ni86  1  0.626807  0.108649  0.354309  1
  Ni  Ni87  1  0.252834  0.303119  0.368428  1
  Ni  Ni88  1  0.252834  0.803119  0.368428  1
  Ni  Ni89  1  0.073779  0.519305  0.378829  1
  Ni  Ni90  1  0.073779  0.019305  0.378829  1
  Ni  Ni91  1  0.696165  0.211273  0.395117  1
  Ni  Ni92  1  0.696165  0.711273  0.395117  1
  Ni  Ni93  1  0.517767  0.429547  0.404180  1
  Ni  Ni94  1  0.517767  0.929547  0.404180  1
  Ni  Ni95  1  0.140322  0.122126  0.420160  1
  Ni  Ni96  1  0.140322  0.622126  0.420160  1
  Ni  Ni97  1  0.961697  0.339754  0.429005  1
  Ni  Ni98  1  0.961697  0.839754  0.429005  1
  Ni  Ni99  1  0.585103  0.033295  0.444912  1
  Ni  Ni100  1  0.585103  0.533295  0.444912  1
  Ni  Ni101  1  0.405902  0.250254  0.454041  1
  Ni  Ni102  1  0.405902  0.750254  0.454041  1
  Ni  Ni103  1  0.029709  0.943058  0.469823  1
  Ni  Ni104  1  0.029709  0.443058  0.469823  1
  Ni  Ni105  1  0.850425  0.160342  0.479109  1
  Ni  Ni106  1  0.850425  0.660342  0.479109  1
  Ni  Ni107  1  0.473490  0.853218  0.495087  1
  Ni  Ni108  1  0.473490  0.353218  0.495087  1
  Ni  Ni109  1  0.294454  0.070696  0.504289  1
  Ni  Ni110  1  0.294454  0.570696  0.504289  1
  Ni  Ni111  1  0.917519  0.763572  0.520268  1
  Ni  Ni112  1  0.917519  0.263572  0.520268  1
  Ni  Ni113  1  0.738235  0.980855  0.529554  1
  Ni  Ni114  1  0.738235  0.480855  0.529554  1
  Ni  Ni115  1  0.362042  0.673659  0.545336  1
  Ni  Ni116  1  0.362042  0.173659  0.545336  1
  Ni  Ni117  1  0.182841  0.890618  0.554464  1
  Ni  Ni118  1  0.182841  0.390618  0.554464  1
  Ni  Ni119  1  0.806247  0.584160  0.570372  1
  Ni  Ni120  1  0.806247  0.084160  0.570372  1
  Ni  Ni121  1  0.627622  0.801788  0.579217  1
  Ni  Ni122  1  0.627622  0.301788  0.579217  1
  Ni  Ni123  1  0.250177  0.494367  0.595197  1
  Ni  Ni124  1  0.250177  0.994367  0.595197  1
  Ni  Ni125  1  0.071779  0.712640  0.604260  1
  Ni  Ni126  1  0.071779  0.212640  0.604260  1
  Ni  Ni127  1  0.694165  0.404609  0.620547  1
  Ni  Ni128  1  0.694165  0.904609  0.620547  1
  Ni  Ni129  1  0.515110  0.620794  0.630949  1
  Ni  Ni130  1  0.515110  0.120794  0.630949  1
  Ni  Ni131  1  0.141137  0.315264  0.645067  1
  Ni  Ni132  1  0.141137  0.815264  0.645067  1
  Ni  Ni133  1  0.960760  0.530322  0.654943  1
  Ni  Ni134  1  0.960760  0.030322  0.654943  1
  Ni  Ni135  1  0.583923  0.222356  0.672606  1
  Ni  Ni136  1  0.583923  0.722356  0.672606  1
  Ni  Ni137  1  0.408746  0.445921  0.677728  1
  Ni  Ni138  1  0.408746  0.945921  0.677728  1
  Ni  Ni139  1  0.028922  0.129612  0.696922  1
  Ni  Ni140  1  0.028922  0.629612  0.696922  1
  Ni  Ni141  1  0.849727  0.353246  0.705072  1
  Ni  Ni142  1  0.849727  0.853246  0.705072  1
  Ni  Ni143  1  0.469710  0.047431  0.719406  1
  Ni  Ni144  1  0.469710  0.547431  0.719406  1
