# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79072378
_cell_length_b   9.08733327
_cell_length_c   47.73610137
_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   'Zr56 Ni56'
_cell_volume   4247.15587866
_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  0.635599  0.576525  0.287267  1
  Zr  Zr2  1  0.646895  0.014329  0.314501  1
  Zr  Zr3  1  0.857995  0.744456  0.331563  1
  Zr  Zr4  1  0.864445  0.295481  0.300163  1
  Zr  Zr5  1  0.146895  0.514329  0.314501  1
  Zr  Zr6  1  0.135599  0.076525  0.287267  1
  Zr  Zr7  1  0.364445  0.795481  0.300163  1
  Zr  Zr8  1  0.357995  0.244456  0.331563  1
  Zr  Zr9  1  0.650392  0.461064  0.347632  1
  Zr  Zr10  1  0.638934  0.900632  0.378930  1
  Zr  Zr11  1  0.869606  0.616608  0.394563  1
  Zr  Zr12  1  0.862087  0.180210  0.363286  1
  Zr  Zr13  1  0.138934  0.400632  0.378930  1
  Zr  Zr14  1  0.150392  0.961064  0.347632  1
  Zr  Zr15  1  0.362087  0.680210  0.363286  1
  Zr  Zr16  1  0.369606  0.116608  0.394563  1
  Zr  Zr17  1  0.639154  0.333024  0.410167  1
  Zr  Zr18  1  0.642039  0.769586  0.441748  1
  Zr  Zr19  1  0.863985  0.490167  0.457775  1
  Zr  Zr20  1  0.866532  0.050714  0.425854  1
  Zr  Zr21  1  0.142039  0.269586  0.441748  1
  Zr  Zr22  1  0.139154  0.833024  0.410167  1
  Zr  Zr23  1  0.366532  0.550714  0.425854  1
  Zr  Zr24  1  0.363985  0.990167  0.457775  1
  Zr  Zr25  1  0.642599  0.210047  0.473405  1
  Zr  Zr26  1  0.642277  0.649693  0.504473  1
  Zr  Zr27  1  0.864314  0.369239  0.519941  1
  Zr  Zr28  1  0.864636  0.929593  0.488874  1
  Zr  Zr29  1  0.142277  0.149693  0.504473  1
  Zr  Zr30  1  0.142599  0.710047  0.473405  1
  Zr  Zr31  1  0.364636  0.429593  0.488874  1
  Zr  Zr32  1  0.364314  0.869239  0.519941  1
  Zr  Zr33  1  0.642928  0.089119  0.535572  1
  Zr  Zr34  1  0.640381  0.528572  0.567493  1
  Zr  Zr35  1  0.867759  0.246262  0.583180  1
  Zr  Zr36  1  0.864874  0.809700  0.551599  1
  Zr  Zr37  1  0.140381  0.028572  0.567493  1
  Zr  Zr38  1  0.142928  0.589119  0.535572  1
  Zr  Zr39  1  0.364874  0.309700  0.551599  1
  Zr  Zr40  1  0.367759  0.746262  0.583180  1
  Zr  Zr41  1  0.637307  0.962678  0.598784  1
  Zr  Zr42  1  0.644826  0.399076  0.630060  1
  Zr  Zr43  1  0.856521  0.118223  0.645715  1
  Zr  Zr44  1  0.867979  0.678654  0.614417  1
  Zr  Zr45  1  0.144826  0.899076  0.630060  1
  Zr  Zr46  1  0.137307  0.462678  0.598784  1
  Zr  Zr47  1  0.367979  0.178654  0.614417  1
  Zr  Zr48  1  0.356521  0.618223  0.645715  1
  Zr  Zr49  1  0.648918  0.834831  0.661783  1
  Zr  Zr50  1  0.642468  0.283805  0.693184  1
  Zr  Zr51  1  0.871314  0.002761  0.706079  1
  Zr  Zr52  1  0.860018  0.564958  0.678845  1
  Zr  Zr53  1  0.142468  0.783805  0.693184  1
  Zr  Zr54  1  0.148918  0.334831  0.661783  1
  Zr  Zr55  1  0.360018  0.064958  0.678845  1
  Zr  Zr56  1  0.371314  0.502761  0.706079  1
  Ni  Ni57  1  0.912400  0.572969  0.291288  1
  Ni  Ni58  1  0.924440  0.013524  0.319408  1
  Ni  Ni59  1  0.580001  0.736522  0.333411  1
  Ni  Ni60  1  0.584064  0.290637  0.304711  1
  Ni  Ni61  1  0.424440  0.513524  0.319408  1
  Ni  Ni62  1  0.412400  0.072969  0.291288  1
  Ni  Ni63  1  0.084064  0.790637  0.304711  1
  Ni  Ni64  1  0.080001  0.236522  0.333411  1
  Ni  Ni65  1  0.925671  0.464933  0.344155  1
  Ni  Ni66  1  0.923719  0.900713  0.377062  1
  Ni  Ni67  1  0.585118  0.617411  0.394140  1
  Ni  Ni68  1  0.582913  0.183362  0.359131  1
  Ni  Ni69  1  0.423719  0.400713  0.377062  1
  Ni  Ni70  1  0.425671  0.964933  0.344155  1
  Ni  Ni71  1  0.082913  0.683362  0.359131  1
  Ni  Ni72  1  0.085118  0.117411  0.394140  1
  Ni  Ni73  1  0.921525  0.332801  0.411386  1
  Ni  Ni74  1  0.922981  0.769338  0.442528  1
  Ni  Ni75  1  0.583738  0.489350  0.457809  1
  Ni  Ni76  1  0.585054  0.049639  0.427583  1
  Ni  Ni77  1  0.422981  0.269338  0.442528  1
  Ni  Ni78  1  0.421525  0.832801  0.411386  1
  Ni  Ni79  1  0.085054  0.549639  0.427583  1
  Ni  Ni80  1  0.083738  0.989350  0.457809  1
  Ni  Ni81  1  0.923125  0.209733  0.473029  1
  Ni  Ni82  1  0.923010  0.649454  0.504740  1
  Ni  Ni83  1  0.583788  0.369553  0.520317  1
  Ni  Ni84  1  0.583903  0.929832  0.488607  1
  Ni  Ni85  1  0.423010  0.149454  0.504740  1
  Ni  Ni86  1  0.423125  0.709733  0.473029  1
  Ni  Ni87  1  0.083903  0.429832  0.488607  1
  Ni  Ni88  1  0.083788  0.869553  0.520317  1
  Ni  Ni89  1  0.923175  0.089936  0.535537  1
  Ni  Ni90  1  0.921859  0.529647  0.565763  1
  Ni  Ni91  1  0.585388  0.246486  0.581961  1
  Ni  Ni92  1  0.583932  0.809949  0.550819  1
  Ni  Ni93  1  0.421859  0.029647  0.565763  1
  Ni  Ni94  1  0.423175  0.589936  0.535537  1
  Ni  Ni95  1  0.083932  0.309949  0.550819  1
  Ni  Ni96  1  0.085388  0.746486  0.581961  1
  Ni  Ni97  1  0.921795  0.961876  0.599206  1
  Ni  Ni98  1  0.924000  0.395924  0.634215  1
  Ni  Ni99  1  0.581242  0.114353  0.649192  1
  Ni  Ni100  1  0.583194  0.678573  0.616284  1
  Ni  Ni101  1  0.424000  0.895924  0.634215  1
  Ni  Ni102  1  0.421795  0.461876  0.599206  1
  Ni  Ni103  1  0.083194  0.178573  0.616284  1
  Ni  Ni104  1  0.081242  0.614353  0.649192  1
  Ni  Ni105  1  0.926912  0.842764  0.659935  1
  Ni  Ni106  1  0.922849  0.288650  0.688636  1
  Ni  Ni107  1  0.594513  0.006317  0.702059  1
  Ni  Ni108  1  0.582473  0.565762  0.673938  1
  Ni  Ni109  1  0.422849  0.788650  0.688636  1
  Ni  Ni110  1  0.426912  0.342764  0.659935  1
  Ni  Ni111  1  0.082473  0.065762  0.673938  1
  Ni  Ni112  1  0.094513  0.506317  0.702059  1
