# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42878292
_cell_length_b   8.50698931
_cell_length_c   49.59419788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.71736814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr56 Ni56'
_cell_volume   4353.98258372
_cell_formula_units_Z   56
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  0.139330  0.582971  0.312944  1
  Zr  Zr2  1  0.181241  0.173110  0.285233  1
  Zr  Zr3  1  0.320100  0.262551  0.341689  1
  Zr  Zr4  1  0.365190  0.847686  0.311379  1
  Zr  Zr5  1  0.639330  0.582971  0.312944  1
  Zr  Zr6  1  0.681241  0.173110  0.285233  1
  Zr  Zr7  1  0.820100  0.262551  0.341689  1
  Zr  Zr8  1  0.865190  0.847686  0.311379  1
  Zr  Zr9  1  0.043161  0.428137  0.374419  1
  Zr  Zr10  1  0.092156  0.006743  0.343421  1
  Zr  Zr11  1  0.220286  0.101269  0.404414  1
  Zr  Zr12  1  0.270945  0.679251  0.372213  1
  Zr  Zr13  1  0.543161  0.428137  0.374419  1
  Zr  Zr14  1  0.592156  0.006743  0.343421  1
  Zr  Zr15  1  0.720286  0.101269  0.404414  1
  Zr  Zr16  1  0.770945  0.679251  0.372213  1
  Zr  Zr17  1  0.944301  0.266748  0.437512  1
  Zr  Zr18  1  0.994044  0.844904  0.405699  1
  Zr  Zr19  1  0.121684  0.940002  0.466843  1
  Zr  Zr20  1  0.171008  0.520845  0.435672  1
  Zr  Zr21  1  0.444301  0.266748  0.437512  1
  Zr  Zr22  1  0.494044  0.844904  0.405699  1
  Zr  Zr23  1  0.621684  0.940002  0.466843  1
  Zr  Zr24  1  0.671008  0.520845  0.435672  1
  Zr  Zr25  1  0.845369  0.105518  0.499885  1
  Zr  Zr26  1  0.894767  0.686448  0.468690  1
  Zr  Zr27  1  0.022784  0.779702  0.529645  1
  Zr  Zr28  1  0.072183  0.360632  0.498450  1
  Zr  Zr29  1  0.345369  0.105518  0.499885  1
  Zr  Zr30  1  0.394767  0.686448  0.468690  1
  Zr  Zr31  1  0.522784  0.779702  0.529645  1
  Zr  Zr32  1  0.572183  0.360632  0.498450  1
  Zr  Zr33  1  0.746544  0.945305  0.562663  1
  Zr  Zr34  1  0.795868  0.526148  0.531493  1
  Zr  Zr35  1  0.923507  0.621246  0.592636  1
  Zr  Zr36  1  0.973251  0.199402  0.560824  1
  Zr  Zr37  1  0.246544  0.945305  0.562663  1
  Zr  Zr38  1  0.295868  0.526148  0.531493  1
  Zr  Zr39  1  0.423507  0.621246  0.592636  1
  Zr  Zr40  1  0.473251  0.199402  0.560824  1
  Zr  Zr41  1  0.646606  0.786899  0.626122  1
  Zr  Zr42  1  0.697266  0.364882  0.593921  1
  Zr  Zr43  1  0.825396  0.459407  0.654914  1
  Zr  Zr44  1  0.874390  0.038013  0.623917  1
  Zr  Zr45  1  0.146606  0.786899  0.626122  1
  Zr  Zr46  1  0.197266  0.364882  0.593921  1
  Zr  Zr47  1  0.325396  0.459407  0.654914  1
  Zr  Zr48  1  0.374390  0.038013  0.623917  1
  Zr  Zr49  1  0.552362  0.618464  0.686957  1
  Zr  Zr50  1  0.597452  0.203599  0.656647  1
  Zr  Zr51  1  0.736311  0.293040  0.713102  1
  Zr  Zr52  1  0.778221  0.883180  0.685392  1
  Zr  Zr53  1  0.052362  0.618464  0.686957  1
  Zr  Zr54  1  0.097452  0.203599  0.656647  1
  Zr  Zr55  1  0.236311  0.293040  0.713102  1
  Zr  Zr56  1  0.278221  0.883180  0.685392  1
  Ni  Ni57  1  0.394810  0.541952  0.328248  1
  Ni  Ni58  1  0.440893  0.124322  0.298214  1
  Ni  Ni59  1  0.062751  0.306728  0.324973  1
  Ni  Ni60  1  0.110808  0.884852  0.293231  1
  Ni  Ni61  1  0.894810  0.541952  0.328248  1
  Ni  Ni62  1  0.940893  0.124322  0.298214  1
  Ni  Ni63  1  0.562751  0.306728  0.324973  1
  Ni  Ni64  1  0.610808  0.884852  0.293231  1
  Ni  Ni65  1  0.298114  0.381962  0.392571  1
  Ni  Ni66  1  0.347760  0.962115  0.361253  1
  Ni  Ni67  1  0.965531  0.147245  0.387014  1
  Ni  Ni68  1  0.014474  0.724278  0.354237  1
  Ni  Ni69  1  0.798114  0.381962  0.392571  1
  Ni  Ni70  1  0.847760  0.962115  0.361253  1
  Ni  Ni71  1  0.465531  0.147245  0.387014  1
  Ni  Ni72  1  0.514474  0.724278  0.354237  1
  Ni  Ni73  1  0.199182  0.221252  0.455061  1
  Ni  Ni74  1  0.248635  0.800769  0.423380  1
  Ni  Ni75  1  0.867010  0.985236  0.449048  1
  Ni  Ni76  1  0.916191  0.565779  0.418179  1
  Ni  Ni77  1  0.699182  0.221252  0.455061  1
  Ni  Ni78  1  0.748635  0.800769  0.423380  1
  Ni  Ni79  1  0.367010  0.985236  0.449048  1
  Ni  Ni80  1  0.416191  0.565779  0.418179  1
  Ni  Ni81  1  0.100172  0.060258  0.517615  1
  Ni  Ni82  1  0.149587  0.641020  0.486351  1
  Ni  Ni83  1  0.767965  0.825130  0.511984  1
  Ni  Ni84  1  0.817380  0.405892  0.480720  1
  Ni  Ni85  1  0.600172  0.060258  0.517615  1
  Ni  Ni86  1  0.649587  0.641020  0.486351  1
  Ni  Ni87  1  0.267965  0.825130  0.511984  1
  Ni  Ni88  1  0.317380  0.405892  0.480720  1
  Ni  Ni89  1  1.001361  0.900371  0.580156  1
  Ni  Ni90  1  0.050541  0.480914  0.549287  1
  Ni  Ni91  1  0.668916  0.665381  0.574955  1
  Ni  Ni92  1  0.718370  0.244898  0.543275  1
  Ni  Ni93  1  0.501361  0.900371  0.580156  1
  Ni  Ni94  1  0.550541  0.480914  0.549287  1
  Ni  Ni95  1  0.168916  0.665381  0.574955  1
  Ni  Ni96  1  0.218370  0.244898  0.543275  1
  Ni  Ni97  1  0.903078  0.741872  0.644099  1
  Ni  Ni98  1  0.952021  0.318905  0.611322  1
  Ni  Ni99  1  0.569792  0.504035  0.637082  1
  Ni  Ni100  1  0.619438  0.084188  0.605764  1
  Ni  Ni101  1  0.403078  0.741872  0.644099  1
  Ni  Ni102  1  0.452021  0.318905  0.611322  1
  Ni  Ni103  1  0.069792  0.504035  0.637082  1
  Ni  Ni104  1  0.119438  0.084188  0.605764  1
  Ni  Ni105  1  0.806743  0.581298  0.705104  1
  Ni  Ni106  1  0.854801  0.159422  0.673362  1
  Ni  Ni107  1  0.476659  0.341828  0.700121  1
  Ni  Ni108  1  0.522742  0.924198  0.670087  1
  Ni  Ni109  1  0.306743  0.581298  0.705104  1
  Ni  Ni110  1  0.354801  0.159422  0.673362  1
  Ni  Ni111  1  0.976659  0.341828  0.700121  1
  Ni  Ni112  1  0.022742  0.924198  0.670087  1
