# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80011977
_cell_length_b   12.73691600
_cell_length_c   47.75348189
_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   'Zr84 Ni84'
_cell_volume   5960.74730518
_cell_formula_units_Z   84
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  0.650356  0.785259  0.327412  1
  Zr  Zr2  1  0.628271  0.368468  0.303424  1
  Zr  Zr3  1  0.607066  0.951934  0.278500  1
  Zr  Zr4  1  0.841779  0.567956  0.312542  1
  Zr  Zr5  1  0.836097  0.154343  0.291736  1
  Zr  Zr6  1  0.858601  0.755932  0.271941  1
  Zr  Zr7  1  0.107066  0.451934  0.278500  1
  Zr  Zr8  1  0.150356  0.285259  0.327412  1
  Zr  Zr9  1  0.128271  0.868468  0.303424  1
  Zr  Zr10  1  0.336097  0.654343  0.291736  1
  Zr  Zr11  1  0.358601  0.255932  0.271941  1
  Zr  Zr12  1  0.341779  0.067956  0.312542  1
  Zr  Zr13  1  0.632140  0.995333  0.391615  1
  Zr  Zr14  1  0.635545  0.588039  0.369190  1
  Zr  Zr15  1  0.647774  0.189902  0.347875  1
  Zr  Zr16  1  0.863129  0.791827  0.382790  1
  Zr  Zr17  1  0.869508  0.392019  0.359693  1
  Zr  Zr18  1  0.864399  0.983151  0.339185  1
  Zr  Zr19  1  0.147774  0.689902  0.347875  1
  Zr  Zr20  1  0.132140  0.495333  0.391615  1
  Zr  Zr21  1  0.135545  0.088039  0.369190  1
  Zr  Zr22  1  0.369508  0.892019  0.359693  1
  Zr  Zr23  1  0.364399  0.483151  0.339185  1
  Zr  Zr24  1  0.363129  0.291827  0.382790  1
  Zr  Zr25  1  0.642457  0.219356  0.459659  1
  Zr  Zr26  1  0.644304  0.812483  0.438022  1
  Zr  Zr27  1  0.641921  0.402752  0.415495  1
  Zr  Zr28  1  0.865427  0.016046  0.448592  1
  Zr  Zr29  1  0.862781  0.606055  0.425033  1
  Zr  Zr30  1  0.860348  0.196345  0.403537  1
  Zr  Zr31  1  0.141921  0.902752  0.415495  1
  Zr  Zr32  1  0.142457  0.719356  0.459659  1
  Zr  Zr33  1  0.144304  0.312483  0.438022  1
  Zr  Zr34  1  0.362781  0.106055  0.425033  1
  Zr  Zr35  1  0.360348  0.696345  0.403537  1
  Zr  Zr36  1  0.365427  0.516046  0.448592  1
  Zr  Zr37  1  0.640534  0.441329  0.526090  1
  Zr  Zr38  1  0.640242  0.034989  0.503543  1
  Zr  Zr39  1  0.641088  0.627043  0.481455  1
  Zr  Zr40  1  0.864860  0.238544  0.515516  1
  Zr  Zr41  1  0.865706  0.830599  0.493427  1
  Zr  Zr42  1  0.865413  0.424258  0.470880  1
  Zr  Zr43  1  0.141088  0.127043  0.481455  1
  Zr  Zr44  1  0.140534  0.941329  0.526090  1
  Zr  Zr45  1  0.140242  0.534989  0.503543  1
  Zr  Zr46  1  0.365706  0.330599  0.493427  1
  Zr  Zr47  1  0.365413  0.924258  0.470880  1
  Zr  Zr48  1  0.364860  0.738544  0.515516  1
  Zr  Zr49  1  0.645600  0.669243  0.593433  1
  Zr  Zr50  1  0.643166  0.259532  0.571938  1
  Zr  Zr51  1  0.640521  0.849541  0.548379  1
  Zr  Zr52  1  0.864027  0.462836  0.581476  1
  Zr  Zr53  1  0.861643  0.053104  0.558949  1
  Zr  Zr54  1  0.863490  0.646232  0.537312  1
  Zr  Zr55  1  0.140521  0.349541  0.548379  1
  Zr  Zr56  1  0.145600  0.169243  0.593433  1
  Zr  Zr57  1  0.143166  0.759532  0.571938  1
  Zr  Zr58  1  0.361643  0.553104  0.558949  1
  Zr  Zr59  1  0.363490  0.146232  0.537312  1
  Zr  Zr60  1  0.364027  0.962836  0.581476  1
  Zr  Zr61  1  0.641549  0.882436  0.657785  1
  Zr  Zr62  1  0.636440  0.473569  0.637278  1
  Zr  Zr63  1  0.642819  0.073760  0.614181  1
  Zr  Zr64  1  0.858173  0.675685  0.649096  1
  Zr  Zr65  1  0.870403  0.277548  0.627780  1
  Zr  Zr66  1  0.873807  0.870254  0.605355  1
  Zr  Zr67  1  0.142819  0.573760  0.614181  1
  Zr  Zr68  1  0.141549  0.382436  0.657785  1
  Zr  Zr69  1  0.136440  0.973569  0.637278  1
  Zr  Zr70  1  0.370403  0.777548  0.627780  1
  Zr  Zr71  1  0.373807  0.370254  0.605355  1
  Zr  Zr72  1  0.358173  0.175685  0.649096  1
  Zr  Zr73  1  0.647346  0.109656  0.725030  1
  Zr  Zr74  1  0.669850  0.711244  0.705234  1
  Zr  Zr75  1  0.664169  0.297632  0.684429  1
  Zr  Zr76  1  0.898881  0.913654  0.718471  1
  Zr  Zr77  1  0.877676  0.497119  0.693546  1
  Zr  Zr78  1  0.855591  0.080329  0.669559  1
  Zr  Zr79  1  0.164169  0.797632  0.684429  1
  Zr  Zr80  1  0.147346  0.609656  0.725030  1
  Zr  Zr81  1  0.169850  0.211244  0.705234  1
  Zr  Zr82  1  0.377676  0.997119  0.693546  1
  Zr  Zr83  1  0.355591  0.580329  0.669559  1
  Zr  Zr84  1  0.398881  0.413654  0.718471  1
  Ni  Ni85  1  0.920959  0.770654  0.327053  1
  Ni  Ni86  1  0.909296  0.349067  0.306843  1
  Ni  Ni87  1  0.885314  0.943954  0.287419  1
  Ni  Ni88  1  0.568340  0.577534  0.311018  1
  Ni  Ni89  1  0.568336  0.152887  0.294988  1
  Ni  Ni90  1  0.581168  0.735438  0.276656  1
  Ni  Ni91  1  0.385314  0.443954  0.287419  1
  Ni  Ni92  1  0.420959  0.270654  0.327053  1
  Ni  Ni93  1  0.409296  0.849067  0.306843  1
  Ni  Ni94  1  0.068336  0.652887  0.294988  1
  Ni  Ni95  1  0.081168  0.235438  0.276656  1
  Ni  Ni96  1  0.068340  0.077534  0.311018  1
  Ni  Ni97  1  0.919160  0.990303  0.394782  1
  Ni  Ni98  1  0.918198  0.601883  0.365571  1
  Ni  Ni99  1  0.925736  0.193595  0.344907  1
  Ni  Ni100  1  0.582628  0.784514  0.384151  1
  Ni  Ni101  1  0.584427  0.385378  0.359789  1
  Ni  Ni102  1  0.582514  0.995691  0.331602  1
  Ni  Ni103  1  0.425736  0.693595  0.344907  1
  Ni  Ni104  1  0.419160  0.490303  0.394782  1
  Ni  Ni105  1  0.418198  0.101883  0.365571  1
  Ni  Ni106  1  0.084427  0.885378  0.359789  1
  Ni  Ni107  1  0.082514  0.495691  0.331602  1
  Ni  Ni108  1  0.082628  0.284514  0.384151  1
  Ni  Ni109  1  0.922424  0.221644  0.458996  1
  Ni  Ni110  1  0.923077  0.809359  0.437993  1
  Ni  Ni111  1  0.921281  0.396170  0.416801  1
  Ni  Ni112  1  0.583730  0.018703  0.447267  1
  Ni  Ni113  1  0.583689  0.611340  0.424972  1
  Ni  Ni114  1  0.581758  0.198144  0.403783  1
  Ni  Ni115  1  0.421281  0.896170  0.416801  1
  Ni  Ni116  1  0.422424  0.721644  0.458996  1
  Ni  Ni117  1  0.423077  0.309359  0.437993  1
  Ni  Ni118  1  0.083689  0.111340  0.424972  1
  Ni  Ni119  1  0.081758  0.698144  0.403783  1
  Ni  Ni120  1  0.083730  0.518703  0.447267  1
  Ni  Ni121  1  0.921921  0.443058  0.526000  1
  Ni  Ni122  1  0.922016  0.035788  0.503821  1
  Ni  Ni123  1  0.921539  0.629651  0.480882  1
  Ni  Ni124  1  0.584409  0.235937  0.516088  1
  Ni  Ni125  1  0.583932  0.829799  0.493150  1
  Ni  Ni126  1  0.584027  0.422530  0.470971  1
  Ni  Ni127  1  0.421539  0.129651  0.480882  1
  Ni  Ni128  1  0.421921  0.943058  0.526000  1
  Ni  Ni129  1  0.422016  0.535788  0.503821  1
  Ni  Ni130  1  0.083932  0.329799  0.493150  1
  Ni  Ni131  1  0.084027  0.922530  0.470971  1
  Ni  Ni132  1  0.084409  0.735937  0.516088  1
  Ni  Ni133  1  0.924189  0.667443  0.593188  1
  Ni  Ni134  1  0.922259  0.254247  0.571999  1
  Ni  Ni135  1  0.922218  0.846884  0.549704  1
  Ni  Ni136  1  0.584667  0.469417  0.580170  1
  Ni  Ni137  1  0.582871  0.056228  0.558977  1
  Ni  Ni138  1  0.583524  0.643944  0.537975  1
  Ni  Ni139  1  0.422218  0.346884  0.549704  1
  Ni  Ni140  1  0.424189  0.167443  0.593188  1
  Ni  Ni141  1  0.422259  0.754247  0.571999  1
  Ni  Ni142  1  0.082871  0.556228  0.558977  1
  Ni  Ni143  1  0.083524  0.143944  0.537975  1
  Ni  Ni144  1  0.084667  0.969417  0.580170  1
  Ni  Ni145  1  0.923434  0.869896  0.665369  1
  Ni  Ni146  1  0.921520  0.480209  0.637181  1
  Ni  Ni147  1  0.923320  0.081073  0.612819  1
  Ni  Ni148  1  0.580212  0.671993  0.652064  1
  Ni  Ni149  1  0.587749  0.263704  0.631400  1
  Ni  Ni150  1  0.586787  0.875284  0.602189  1
  Ni  Ni151  1  0.423320  0.581073  0.612819  1
  Ni  Ni152  1  0.423434  0.369896  0.665369  1
  Ni  Ni153  1  0.421520  0.980209  0.637181  1
  Ni  Ni154  1  0.087749  0.763704  0.631400  1
  Ni  Ni155  1  0.086787  0.375284  0.602189  1
  Ni  Ni156  1  0.080212  0.171993  0.652064  1
  Ni  Ni157  1  0.924779  0.130149  0.720315  1
  Ni  Ni158  1  0.937612  0.712700  0.701983  1
  Ni  Ni159  1  0.937608  0.288053  0.685953  1
  Ni  Ni160  1  0.620633  0.921633  0.709552  1
  Ni  Ni161  1  0.596651  0.516520  0.690128  1
  Ni  Ni162  1  0.584989  0.094933  0.669918  1
  Ni  Ni163  1  0.437608  0.788053  0.685953  1
  Ni  Ni164  1  0.424779  0.630149  0.720315  1
  Ni  Ni165  1  0.437612  0.212700  0.701983  1
  Ni  Ni166  1  0.096651  0.016520  0.690128  1
  Ni  Ni167  1  0.084989  0.594933  0.669918  1
  Ni  Ni168  1  0.120633  0.421633  0.709552  1
