# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.14062474
_cell_length_b   8.13665322
_cell_length_c   48.46223182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   58.73263036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr56 Ni56'
_cell_volume   4091.96283275
_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  0.189785  0.896858  0.278579  1
  Zr  Zr2  1  0.134989  0.551082  0.308569  1
  Zr  Zr3  1  0.363647  0.072058  0.307076  1
  Zr  Zr4  1  0.416801  0.422892  0.277590  1
  Zr  Zr5  1  0.661604  0.718175  0.293920  1
  Zr  Zr6  1  0.610399  0.377589  0.325522  1
  Zr  Zr7  1  0.889644  0.239934  0.291988  1
  Zr  Zr8  1  0.838278  0.895308  0.322898  1
  Zr  Zr9  1  0.086171  0.202017  0.340792  1
  Zr  Zr10  1  0.032009  0.855430  0.374789  1
  Zr  Zr11  1  0.258642  0.374022  0.373047  1
  Zr  Zr12  1  0.314053  0.718365  0.339362  1
  Zr  Zr13  1  0.560018  0.027914  0.357323  1
  Zr  Zr14  1  0.505086  0.683839  0.391569  1
  Zr  Zr15  1  0.787619  0.545958  0.356211  1
  Zr  Zr16  1  0.731567  0.201900  0.390263  1
  Zr  Zr17  1  0.977709  0.512275  0.408192  1
  Zr  Zr18  1  0.923614  0.167540  0.441913  1
  Zr  Zr19  1  0.150561  0.685361  0.440080  1
  Zr  Zr20  1  0.204472  0.029972  0.406602  1
  Zr  Zr21  1  0.450121  0.339984  0.425332  1
  Zr  Zr22  1  0.396823  0.994942  0.458387  1
  Zr  Zr23  1  0.677795  0.857484  0.423151  1
  Zr  Zr24  1  0.623911  0.512871  0.456703  1
  Zr  Zr25  1  0.869509  0.822881  0.475187  1
  Zr  Zr26  1  0.815713  0.478271  0.508484  1
  Zr  Zr27  1  0.042782  0.995944  0.506984  1
  Zr  Zr28  1  0.096945  0.340531  0.473396  1
  Zr  Zr29  1  0.342582  0.650580  0.491825  1
  Zr  Zr30  1  0.288419  0.305992  0.525413  1
  Zr  Zr31  1  0.569650  0.168253  0.490325  1
  Zr  Zr32  1  0.515855  0.823642  0.523622  1
  Zr  Zr33  1  0.761453  0.133653  0.542106  1
  Zr  Zr34  1  0.707568  0.789039  0.575658  1
  Zr  Zr35  1  0.935243  0.306539  0.573477  1
  Zr  Zr36  1  0.988540  0.651581  0.540422  1
  Zr  Zr37  1  0.234803  0.961163  0.558729  1
  Zr  Zr38  1  0.180892  0.616551  0.592207  1
  Zr  Zr39  1  0.461749  0.478983  0.556896  1
  Zr  Zr40  1  0.407655  0.134248  0.590617  1
  Zr  Zr41  1  0.653796  0.444623  0.608546  1
  Zr  Zr42  1  0.597745  0.100566  0.642598  1
  Zr  Zr43  1  0.825346  0.618610  0.641486  1
  Zr  Zr44  1  0.880278  0.962684  0.607240  1
  Zr  Zr45  1  0.126721  0.272502  0.625762  1
  Zr  Zr46  1  0.071310  0.928159  0.659447  1
  Zr  Zr47  1  0.353354  0.791093  0.624020  1
  Zr  Zr48  1  0.299193  0.444507  0.658017  1
  Zr  Zr49  1  0.547085  0.751215  0.675911  1
  Zr  Zr50  1  0.495719  0.406590  0.706821  1
  Zr  Zr51  1  0.723760  0.928349  0.704889  1
  Zr  Zr52  1  0.774965  0.268934  0.673287  1
  Zr  Zr53  1  0.021716  0.574465  0.691733  1
  Zr  Zr54  1  0.968563  0.223631  0.721219  1
  Zr  Zr55  1  0.250375  0.095441  0.690240  1
  Zr  Zr56  1  0.195579  0.749665  0.720230  1
  Ni  Ni57  1  0.444918  0.703324  0.292962  1
  Ni  Ni58  1  0.390254  0.350165  0.327520  1
  Ni  Ni59  1  0.110995  0.261119  0.287015  1
  Ni  Ni60  1  0.057172  0.916267  0.320973  1
  Ni  Ni61  1  0.915980  0.531055  0.308856  1
  Ni  Ni62  1  0.976631  0.865013  0.276748  1
  Ni  Ni63  1  0.639756  0.427449  0.271587  1
  Ni  Ni64  1  0.586159  0.090463  0.302300  1
  Ni  Ni65  1  0.337542  0.006761  0.360569  1
  Ni  Ni66  1  0.283737  0.662086  0.393879  1
  Ni  Ni67  1  0.005100  0.569930  0.353742  1
  Ni  Ni68  1  0.953229  0.223630  0.387981  1
  Ni  Ni69  1  0.811202  0.834709  0.376890  1
  Ni  Ni70  1  0.864004  0.178120  0.344352  1
  Ni  Ni71  1  0.531752  0.744874  0.337538  1
  Ni  Ni72  1  0.479012  0.395353  0.371723  1
  Ni  Ni73  1  0.230180  0.316875  0.427178  1
  Ni  Ni74  1  0.176021  0.972485  0.460671  1
  Ni  Ni75  1  0.898398  0.880153  0.421073  1
  Ni  Ni76  1  0.844515  0.535707  0.454418  1
  Ni  Ni77  1  0.702803  0.144523  0.444122  1
  Ni  Ni78  1  0.757309  0.489366  0.410449  1
  Ni  Ni79  1  0.425972  0.052599  0.404147  1
  Ni  Ni80  1  0.371467  0.707977  0.437746  1
  Ni  Ni81  1  0.121748  0.628035  0.494168  1
  Ni  Ni82  1  0.068215  0.283521  0.527446  1
  Ni  Ni83  1  0.790427  0.190723  0.488068  1
  Ni  Ni84  1  0.736329  0.846142  0.521470  1
  Ni  Ni85  1  0.594936  0.455801  0.510742  1
  Ni  Ni86  1  0.649034  0.800382  0.477339  1
  Ni  Ni87  1  0.317149  0.363003  0.471363  1
  Ni  Ni88  1  0.263616  0.018489  0.504641  1
  Ni  Ni89  1  0.013897  0.938546  0.561063  1
  Ni  Ni90  1  0.959392  0.593925  0.594662  1
  Ni  Ni91  1  0.682561  0.502000  0.554687  1
  Ni  Ni92  1  0.628055  0.157157  0.588360  1
  Ni  Ni93  1  0.486965  0.766370  0.577736  1
  Ni  Ni94  1  0.540849  0.110817  0.544391  1
  Ni  Ni95  1  0.209343  0.674039  0.538138  1
  Ni  Ni96  1  0.155184  0.329648  0.571631  1
  Ni  Ni97  1  0.906352  0.251170  0.627086  1
  Ni  Ni98  1  0.853612  0.901649  0.661271  1
  Ni  Ni99  1  0.574162  0.811814  0.621919  1
  Ni  Ni100  1  0.521360  0.468404  0.654457  1
  Ni  Ni101  1  0.380264  0.076593  0.645067  1
  Ni  Ni102  1  0.432135  0.422894  0.610828  1
  Ni  Ni103  1  0.101627  0.984438  0.604930  1
  Ni  Ni104  1  0.047822  0.639762  0.638240  1
  Ni  Ni105  1  0.799205  0.556060  0.696509  1
  Ni  Ni106  1  0.745608  0.219075  0.727222  1
  Ni  Ni107  1  0.469384  0.115469  0.689953  1
  Ni  Ni108  1  0.408733  0.781510  0.722061  1
  Ni  Ni109  1  0.274369  0.385404  0.711794  1
  Ni  Ni110  1  0.328192  0.730256  0.677836  1
  Ni  Ni111  1  0.995110  0.296358  0.671290  1
  Ni  Ni112  1  0.940445  0.943200  0.705847  1
