# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12184880
_cell_length_b   30.74002423
_cell_length_c   49.44789919
_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   'Zr60 Ni60'
_cell_volume   4745.30264237
_cell_formula_units_Z   60
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  1.006056  0.360951  0.317193  1
  Zr  Zr2  1  1.006056  0.707411  0.344311  1
  Zr  Zr3  1  1.006056  0.052800  0.371349  1
  Zr  Zr4  1  0.506056  0.448259  0.346115  1
  Zr  Zr5  1  0.506056  0.758359  0.292835  1
  Zr  Zr6  1  0.506056  0.103312  0.318974  1
  Zr  Zr7  1  0.506056  0.207411  0.344311  1
  Zr  Zr8  1  0.506056  0.552800  0.371349  1
  Zr  Zr9  1  0.506056  0.860951  0.317193  1
  Zr  Zr10  1  1.006056  0.258359  0.292835  1
  Zr  Zr11  1  1.006056  0.603312  0.318974  1
  Zr  Zr12  1  1.006056  0.948259  0.346115  1
  Zr  Zr13  1  1.006056  0.399748  0.400367  1
  Zr  Zr14  1  1.006056  0.745724  0.427953  1
  Zr  Zr15  1  1.006056  0.091815  0.455313  1
  Zr  Zr16  1  0.506056  0.487601  0.429059  1
  Zr  Zr17  1  0.506056  0.795241  0.374183  1
  Zr  Zr18  1  0.506056  0.141031  0.401226  1
  Zr  Zr19  1  0.506056  0.245724  0.427953  1
  Zr  Zr20  1  0.506056  0.591815  0.455313  1
  Zr  Zr21  1  0.506056  0.899748  0.400367  1
  Zr  Zr22  1  1.006056  0.295241  0.374183  1
  Zr  Zr23  1  1.006056  0.641031  0.401226  1
  Zr  Zr24  1  1.006056  0.987601  0.429059  1
  Zr  Zr25  1  1.006056  0.438232  0.483735  1
  Zr  Zr26  1  1.006056  0.784303  0.511489  1
  Zr  Zr27  1  1.006056  0.130275  0.538850  1
  Zr  Zr28  1  0.506056  0.525776  0.512641  1
  Zr  Zr29  1  0.506056  0.833733  0.457526  1
  Zr  Zr30  1  0.506056  0.179704  0.484887  1
  Zr  Zr31  1  0.506056  0.284303  0.511489  1
  Zr  Zr32  1  0.506056  0.630275  0.538850  1
  Zr  Zr33  1  0.506056  0.938232  0.483735  1
  Zr  Zr34  1  1.006056  0.333733  0.457526  1
  Zr  Zr35  1  1.006056  0.679704  0.484887  1
  Zr  Zr36  1  1.006056  0.025776  0.512641  1
  Zr  Zr37  1  1.006056  0.476406  0.567317  1
  Zr  Zr38  1  1.006056  0.822976  0.595150  1
  Zr  Zr39  1  1.006056  0.168767  0.622193  1
  Zr  Zr40  1  0.506056  0.564259  0.596009  1
  Zr  Zr41  1  0.506056  0.872193  0.541063  1
  Zr  Zr42  1  0.506056  0.218283  0.568423  1
  Zr  Zr43  1  0.506056  0.322976  0.595150  1
  Zr  Zr44  1  0.506056  0.668767  0.622193  1
  Zr  Zr45  1  0.506056  0.976406  0.567317  1
  Zr  Zr46  1  1.006056  0.372193  0.541063  1
  Zr  Zr47  1  1.006056  0.718283  0.568423  1
  Zr  Zr48  1  1.006056  0.064259  0.596009  1
  Zr  Zr49  1  1.006056  0.515748  0.650261  1
  Zr  Zr50  1  1.006056  0.860696  0.677402  1
  Zr  Zr51  1  1.006056  0.205649  0.703541  1
  Zr  Zr52  1  0.506056  0.603057  0.679183  1
  Zr  Zr53  1  0.506056  0.911207  0.625027  1
  Zr  Zr54  1  0.506056  0.256597  0.652065  1
  Zr  Zr55  1  0.506056  0.360696  0.677402  1
  Zr  Zr56  1  0.506056  0.705649  0.703541  1
  Zr  Zr57  1  0.506056  0.015748  0.650261  1
  Zr  Zr58  1  1.006056  0.411207  0.625027  1
  Zr  Zr59  1  1.006056  0.756597  0.652065  1
  Zr  Zr60  1  1.006056  0.103057  0.679183  1
  Ni  Ni61  1  1.006056  0.445929  0.302123  1
  Ni  Ni62  1  0.006056  0.793559  0.329814  1
  Ni  Ni63  1  1.006056  0.139601  0.356109  1
  Ni  Ni64  1  0.506056  0.363022  0.361565  1
  Ni  Ni65  1  0.506056  0.672109  0.305524  1
  Ni  Ni66  1  0.506056  0.016191  0.332207  1
  Ni  Ni67  1  0.506056  0.293559  0.329814  1
  Ni  Ni68  1  0.506056  0.639601  0.356109  1
  Ni  Ni69  1  0.506056  0.945929  0.302123  1
  Ni  Ni70  1  1.006056  0.172109  0.305524  1
  Ni  Ni71  1  1.006056  0.516191  0.332207  1
  Ni  Ni72  1  1.006056  0.863022  0.361565  1
  Ni  Ni73  1  1.006056  0.485906  0.383941  1
  Ni  Ni74  1  0.006056  0.832306  0.412741  1
  Ni  Ni75  1  1.006056  0.178128  0.440027  1
  Ni  Ni76  1  0.506056  0.401442  0.445318  1
  Ni  Ni77  1  0.506056  0.708763  0.389390  1
  Ni  Ni78  1  0.506056  0.055043  0.416660  1
  Ni  Ni79  1  0.506056  0.332306  0.412741  1
  Ni  Ni80  1  0.506056  0.678128  0.440027  1
  Ni  Ni81  1  0.506056  0.985906  0.383941  1
  Ni  Ni82  1  1.006056  0.208763  0.389390  1
  Ni  Ni83  1  0.006056  0.555043  0.416660  1
  Ni  Ni84  1  1.006056  0.901442  0.445318  1
  Ni  Ni85  1  1.006056  0.524288  0.467578  1
  Ni  Ni86  1  1.006056  0.870671  0.496100  1
  Ni  Ni87  1  1.006056  0.216641  0.523520  1
  Ni  Ni88  1  0.506056  0.439719  0.528798  1
  Ni  Ni89  1  0.506056  0.747367  0.472856  1
  Ni  Ni90  1  0.506056  0.093337  0.500276  1
  Ni  Ni91  1  0.506056  0.370671  0.496100  1
  Ni  Ni92  1  0.506056  0.716641  0.523520  1
  Ni  Ni93  1  0.506056  0.024288  0.467578  1
  Ni  Ni94  1  1.006056  0.247367  0.472856  1
  Ni  Ni95  1  1.006056  0.593337  0.500276  1
  Ni  Ni96  1  1.006056  0.939719  0.528798  1
  Ni  Ni97  1  1.006056  0.562566  0.551058  1
  Ni  Ni98  1  1.006056  0.908964  0.579716  1
  Ni  Ni99  1  1.006056  0.255244  0.606986  1
  Ni  Ni100  1  0.506056  0.478101  0.612435  1
  Ni  Ni101  1  0.506056  0.785879  0.556349  1
  Ni  Ni102  1  0.506056  0.131702  0.583635  1
  Ni  Ni103  1  0.506056  0.408964  0.579716  1
  Ni  Ni104  1  0.506056  0.755244  0.606986  1
  Ni  Ni105  1  0.506056  0.062566  0.551058  1
  Ni  Ni106  1  1.006056  0.285879  0.556349  1
  Ni  Ni107  1  1.006056  0.631702  0.583635  1
  Ni  Ni108  1  1.006056  0.978101  0.612435  1
  Ni  Ni109  1  1.006056  0.600986  0.634811  1
  Ni  Ni110  1  1.006056  0.947816  0.664169  1
  Ni  Ni111  1  1.006056  0.291899  0.690852  1
  Ni  Ni112  1  0.506056  0.518078  0.694253  1
  Ni  Ni113  1  0.506056  0.824406  0.640267  1
  Ni  Ni114  1  0.506056  0.170449  0.666562  1
  Ni  Ni115  1  0.506056  0.447816  0.664169  1
  Ni  Ni116  1  0.506056  0.791899  0.690852  1
  Ni  Ni117  1  0.506056  0.100986  0.634811  1
  Ni  Ni118  1  1.006056  0.324406  0.640267  1
  Ni  Ni119  1  1.006056  0.670449  0.666562  1
  Ni  Ni120  1  1.006056  0.018078  0.694253  1
