# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83584339
_cell_length_b   30.37353641
_cell_length_c   49.02676635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5712.01681199
_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  0.256209  0.986698  0.336572  1
  Zr  Zr2  1  0.256209  0.672776  0.291422  1
  Zr  Zr3  1  0.256209  0.330394  0.313790  1
  Zr  Zr4  1  0.756209  0.928488  0.293665  1
  Zr  Zr5  1  0.756209  0.588866  0.314631  1
  Zr  Zr6  1  0.756209  0.246216  0.337812  1
  Zr  Zr7  1  0.256209  0.158197  0.325076  1
  Zr  Zr8  1  0.256209  0.816825  0.347827  1
  Zr  Zr9  1  0.256209  0.500507  0.302812  1
  Zr  Zr10  1  0.756209  0.073952  0.349689  1
  Zr  Zr11  1  0.756209  0.758958  0.303633  1
  Zr  Zr12  1  0.756209  0.417623  0.326605  1
  Zr  Zr13  1  0.256209  0.959727  0.408177  1
  Zr  Zr14  1  0.256209  0.645064  0.359859  1
  Zr  Zr15  1  0.256209  0.302640  0.383963  1
  Zr  Zr16  1  0.756209  0.902982  0.361798  1
  Zr  Zr17  1  0.756209  0.560598  0.385145  1
  Zr  Zr18  1  0.756209  0.217713  0.408984  1
  Zr  Zr19  1  0.256209  0.131111  0.395856  1
  Zr  Zr20  1  0.256209  0.788242  0.420017  1
  Zr  Zr21  1  0.256209  0.473776  0.372276  1
  Zr  Zr22  1  0.756209  0.046630  0.421183  1
  Zr  Zr23  1  0.756209  0.732165  0.373326  1
  Zr  Zr24  1  0.756209  0.389133  0.397547  1
  Zr  Zr25  1  0.256209  0.931613  0.479784  1
  Zr  Zr26  1  0.256209  0.616831  0.431951  1
  Zr  Zr27  1  0.256209  0.274145  0.455693  1
  Zr  Zr28  1  0.756209  0.875127  0.433351  1
  Zr  Zr29  1  0.756209  0.532423  0.457210  1
  Zr  Zr30  1  0.756209  0.189806  0.480847  1
  Zr  Zr31  1  0.256209  0.102996  0.467644  1
  Zr  Zr32  1  0.256209  0.760219  0.491657  1
  Zr  Zr33  1  0.256209  0.445528  0.444040  1
  Zr  Zr34  1  0.756209  0.018479  0.492896  1
  Zr  Zr35  1  0.756209  0.703804  0.445191  1
  Zr  Zr36  1  0.756209  0.361061  0.469140  1
  Zr  Zr37  1  0.256209  0.903482  0.551386  1
  Zr  Zr38  1  0.256209  0.588807  0.503681  1
  Zr  Zr39  1  0.256209  0.246225  0.527436  1
  Zr  Zr40  1  0.756209  0.847067  0.504919  1
  Zr  Zr41  1  0.756209  0.504290  0.528933  1
  Zr  Zr42  1  0.756209  0.161758  0.552537  1
  Zr  Zr43  1  0.256209  0.074863  0.539367  1
  Zr  Zr44  1  0.256209  0.732159  0.563226  1
  Zr  Zr45  1  0.256209  0.417480  0.515729  1
  Zr  Zr46  1  0.756209  0.990455  0.564626  1
  Zr  Zr47  1  0.756209  0.675673  0.516793  1
  Zr  Zr48  1  0.756209  0.333141  0.540883  1
  Zr  Zr49  1  0.256209  0.875121  0.623251  1
  Zr  Zr50  1  0.256209  0.560656  0.575394  1
  Zr  Zr51  1  0.256209  0.218153  0.599030  1
  Zr  Zr52  1  0.756209  0.819044  0.576559  1
  Zr  Zr53  1  0.756209  0.476175  0.600721  1
  Zr  Zr54  1  0.756209  0.133510  0.624301  1
  Zr  Zr55  1  0.256209  0.046688  0.611432  1
  Zr  Zr56  1  0.256209  0.704304  0.634779  1
  Zr  Zr57  1  0.256209  0.389573  0.587593  1
  Zr  Zr58  1  0.756209  0.962222  0.636718  1
  Zr  Zr59  1  0.756209  0.647559  0.588400  1
  Zr  Zr60  1  0.756209  0.304646  0.612614  1
  Zr  Zr61  1  0.256209  0.848328  0.692943  1
  Zr  Zr62  1  0.256209  0.533334  0.646888  1
  Zr  Zr63  1  0.256209  0.189663  0.669972  1
  Zr  Zr64  1  0.756209  0.790461  0.648750  1
  Zr  Zr65  1  0.756209  0.449089  0.671501  1
  Zr  Zr66  1  0.756209  0.106779  0.693765  1
  Zr  Zr67  1  0.256209  0.018420  0.681946  1
  Zr  Zr68  1  0.256209  0.678798  0.702912  1
  Zr  Zr69  1  0.256209  0.361070  0.658764  1
  Zr  Zr70  1  0.756209  0.934510  0.705155  1
  Zr  Zr71  1  0.756209  0.620588  0.660005  1
  Zr  Zr72  1  0.756209  0.276892  0.682787  1
  Ni  Ni73  1  0.256209  0.897511  0.323420  1
  Ni  Ni74  1  0.256209  0.556183  0.346660  1
  Ni  Ni75  1  0.256209  0.241189  0.299834  1
  Ni  Ni76  1  0.756209  0.017626  0.303660  1
  Ni  Ni77  1  0.756209  0.677320  0.327197  1
  Ni  Ni78  1  0.756209  0.334869  0.351182  1
  Ni  Ni79  1  0.256209  0.069074  0.311419  1
  Ni  Ni80  1  0.256209  0.727953  0.334796  1
  Ni  Ni81  1  0.256209  0.412098  0.289555  1
  Ni  Ni82  1  0.756209  0.190601  0.294071  1
  Ni  Ni83  1  0.756209  0.847816  0.314928  1
  Ni  Ni84  1  0.756209  0.506139  0.339199  1
  Ni  Ni85  1  0.256209  0.870429  0.395049  1
  Ni  Ni86  1  0.256209  0.528130  0.418616  1
  Ni  Ni87  1  0.256209  0.213448  0.369904  1
  Ni  Ni88  1  0.756209  0.992300  0.375087  1
  Ni  Ni89  1  0.756209  0.649409  0.399102  1
  Ni  Ni90  1  0.756209  0.306612  0.422856  1
  Ni  Ni91  1  0.256209  0.042342  0.382276  1
  Ni  Ni92  1  0.256209  0.699342  0.406655  1
  Ni  Ni93  1  0.256209  0.385126  0.358133  1
  Ni  Ni94  1  0.756209  0.163351  0.361949  1
  Ni  Ni95  1  0.756209  0.820656  0.386687  1
  Ni  Ni96  1  0.756209  0.478121  0.411189  1
  Ni  Ni97  1  0.256209  0.842665  0.466252  1
  Ni  Ni98  1  0.256209  0.499940  0.490245  1
  Ni  Ni99  1  0.256209  0.185401  0.442196  1
  Ni  Ni100  1  0.756209  0.964105  0.446754  1
  Ni  Ni101  1  0.756209  0.621283  0.470552  1
  Ni  Ni102  1  0.756209  0.278680  0.494439  1
  Ni  Ni103  1  0.256209  0.014112  0.454308  1
  Ni  Ni104  1  0.256209  0.671268  0.478137  1
  Ni  Ni105  1  0.256209  0.356598  0.430603  1
  Ni  Ni106  1  0.756209  0.135423  0.434689  1
  Ni  Ni107  1  0.756209  0.792654  0.458642  1
  Ni  Ni108  1  0.756209  0.449948  0.482661  1
  Ni  Ni109  1  0.256209  0.814632  0.537935  1
  Ni  Ni110  1  0.256209  0.471863  0.561888  1
  Ni  Ni111  1  0.256209  0.157338  0.513916  1
  Ni  Ni112  1  0.756209  0.936018  0.518440  1
  Ni  Ni113  1  0.756209  0.593174  0.542268  1
  Ni  Ni114  1  0.756209  0.250688  0.565974  1
  Ni  Ni115  1  0.256209  0.986003  0.526025  1
  Ni  Ni116  1  0.256209  0.643181  0.549823  1
  Ni  Ni117  1  0.256209  0.328606  0.502138  1
  Ni  Ni118  1  0.756209  0.107346  0.506332  1
  Ni  Ni119  1  0.756209  0.764621  0.530325  1
  Ni  Ni120  1  0.756209  0.421885  0.554381  1
  Ni  Ni121  1  0.256209  0.786630  0.609890  1
  Ni  Ni122  1  0.256209  0.443935  0.634627  1
  Ni  Ni123  1  0.256209  0.129165  0.585388  1
  Ni  Ni124  1  0.756209  0.907945  0.589922  1
  Ni  Ni125  1  0.756209  0.564944  0.614301  1
  Ni  Ni126  1  0.756209  0.222160  0.638444  1
  Ni  Ni127  1  0.256209  0.957877  0.597475  1
  Ni  Ni128  1  0.256209  0.614986  0.621490  1
  Ni  Ni129  1  0.256209  0.300674  0.573720  1
  Ni  Ni130  1  0.756209  0.079156  0.577961  1
  Ni  Ni131  1  0.756209  0.736857  0.601528  1
  Ni  Ni132  1  0.756209  0.393838  0.626673  1
  Ni  Ni133  1  0.256209  0.759470  0.681649  1
  Ni  Ni134  1  0.256209  0.416685  0.702505  1
  Ni  Ni135  1  0.256209  0.101147  0.657377  1
  Ni  Ni136  1  0.756209  0.879333  0.661781  1
  Ni  Ni137  1  0.756209  0.538212  0.685158  1
  Ni  Ni138  1  0.756209  0.195188  0.707022  1
  Ni  Ni139  1  0.256209  0.929966  0.669380  1
  Ni  Ni140  1  0.256209  0.589660  0.692917  1
  Ni  Ni141  1  0.256209  0.272417  0.645395  1
  Ni  Ni142  1  0.756209  0.051103  0.649917  1
  Ni  Ni143  1  0.756209  0.709775  0.673156  1
  Ni  Ni144  1  0.756209  0.366097  0.696743  1
