# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28980707
_cell_length_b   13.15537900
_cell_length_c   47.07820952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.81190072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr84 Ni84'
_cell_volume   6355.78608536
_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  0.195802  0.807156  0.318457  1
  Zr  Zr2  1  0.219557  0.191779  0.283891  1
  Zr  Zr3  1  0.209931  0.500782  0.303621  1
  Zr  Zr4  1  0.387938  0.991626  0.314997  1
  Zr  Zr5  1  0.379373  0.309166  0.336485  1
  Zr  Zr6  1  0.455688  0.661998  0.295613  1
  Zr  Zr7  1  0.695802  0.807156  0.318457  1
  Zr  Zr8  1  0.719557  0.191779  0.283891  1
  Zr  Zr9  1  0.709931  0.500782  0.303621  1
  Zr  Zr10  1  0.887938  0.991626  0.314997  1
  Zr  Zr11  1  0.879373  0.309166  0.336485  1
  Zr  Zr12  1  0.955688  0.661998  0.295613  1
  Zr  Zr13  1  0.089564  0.768492  0.385222  1
  Zr  Zr14  1  0.162627  0.133993  0.344819  1
  Zr  Zr15  1  0.125354  0.448654  0.366007  1
  Zr  Zr16  1  0.332351  0.932737  0.378190  1
  Zr  Zr17  1  0.299536  0.249533  0.400071  1
  Zr  Zr18  1  0.354515  0.623791  0.358490  1
  Zr  Zr19  1  0.589564  0.768492  0.385222  1
  Zr  Zr20  1  0.662627  0.133993  0.344819  1
  Zr  Zr21  1  0.625354  0.448654  0.366007  1
  Zr  Zr22  1  0.832351  0.932737  0.378190  1
  Zr  Zr23  1  0.799536  0.249533  0.400071  1
  Zr  Zr24  1  0.854515  0.623791  0.358490  1
  Zr  Zr25  1  0.004845  0.708333  0.449060  1
  Zr  Zr26  1  0.060704  0.074850  0.405899  1
  Zr  Zr27  1  0.033731  0.393339  0.427681  1
  Zr  Zr28  1  0.232519  0.882341  0.442483  1
  Zr  Zr29  1  0.205755  0.196710  0.462822  1
  Zr  Zr30  1  0.266834  0.566243  0.421500  1
  Zr  Zr31  1  0.504845  0.708333  0.449060  1
  Zr  Zr32  1  0.560704  0.074850  0.405899  1
  Zr  Zr33  1  0.533731  0.393339  0.427681  1
  Zr  Zr34  1  0.732519  0.882341  0.442483  1
  Zr  Zr35  1  0.705755  0.196710  0.462822  1
  Zr  Zr36  1  0.766834  0.566243  0.421500  1
  Zr  Zr37  1  0.915623  0.656961  0.511618  1
  Zr  Zr38  1  0.972991  0.025872  0.469441  1
  Zr  Zr39  1  0.943825  0.339612  0.490271  1
  Zr  Zr40  1  0.149243  0.828950  0.505285  1
  Zr  Zr41  1  0.120077  0.142690  0.526115  1
  Zr  Zr42  1  0.177445  0.511601  0.483938  1
  Zr  Zr43  1  0.415623  0.656961  0.511618  1
  Zr  Zr44  1  0.472991  0.025872  0.469441  1
  Zr  Zr45  1  0.443825  0.339612  0.490271  1
  Zr  Zr46  1  0.649243  0.828950  0.505285  1
  Zr  Zr47  1  0.620077  0.142690  0.526115  1
  Zr  Zr48  1  0.677445  0.511601  0.483938  1
  Zr  Zr49  1  0.826234  0.602319  0.574056  1
  Zr  Zr50  1  0.887313  0.971853  0.532734  1
  Zr  Zr51  1  0.860549  0.286222  0.553073  1
  Zr  Zr52  1  0.059337  0.775223  0.567875  1
  Zr  Zr53  1  0.032364  0.093713  0.589657  1
  Zr  Zr54  1  0.088223  0.460230  0.546497  1
  Zr  Zr55  1  0.326234  0.602319  0.574056  1
  Zr  Zr56  1  0.387313  0.971853  0.532734  1
  Zr  Zr57  1  0.360549  0.286222  0.553073  1
  Zr  Zr58  1  0.559337  0.775223  0.567875  1
  Zr  Zr59  1  0.532364  0.093713  0.589657  1
  Zr  Zr60  1  0.588223  0.460230  0.546497  1
  Zr  Zr61  1  0.738553  0.544772  0.637067  1
  Zr  Zr62  1  0.793532  0.919029  0.595485  1
  Zr  Zr63  1  0.760717  0.235825  0.617366  1
  Zr  Zr64  1  0.967714  0.719909  0.629549  1
  Zr  Zr65  1  0.930441  0.034569  0.650738  1
  Zr  Zr66  1  0.003504  0.400070  0.610334  1
  Zr  Zr67  1  0.238553  0.544772  0.637067  1
  Zr  Zr68  1  0.293532  0.919029  0.595485  1
  Zr  Zr69  1  0.260717  0.235825  0.617366  1
  Zr  Zr70  1  0.467714  0.719909  0.629549  1
  Zr  Zr71  1  0.430441  0.034569  0.650738  1
  Zr  Zr72  1  0.503504  0.400070  0.610334  1
  Zr  Zr73  1  0.637381  0.506564  0.699943  1
  Zr  Zr74  1  0.713695  0.859397  0.659071  1
  Zr  Zr75  1  0.705130  0.176936  0.680559  1
  Zr  Zr76  1  0.883137  0.667781  0.691935  1
  Zr  Zr77  1  0.873511  0.976783  0.711665  1
  Zr  Zr78  1  0.897266  0.361406  0.677099  1
  Zr  Zr79  1  0.137381  0.506564  0.699943  1
  Zr  Zr80  1  0.213695  0.859397  0.659071  1
  Zr  Zr81  1  0.205130  0.176936  0.680559  1
  Zr  Zr82  1  0.383137  0.667781  0.691935  1
  Zr  Zr83  1  0.373511  0.976783  0.711665  1
  Zr  Zr84  1  0.397266  0.361406  0.677099  1
  Ni  Ni85  1  0.494694  0.851192  0.284306  1
  Ni  Ni86  1  0.476255  0.166000  0.304643  1
  Ni  Ni87  1  0.462677  0.484615  0.323252  1
  Ni  Ni88  1  0.131892  0.003297  0.300649  1
  Ni  Ni89  1  0.118671  0.318991  0.322018  1
  Ni  Ni90  1  0.098818  0.634553  0.342173  1
  Ni  Ni91  1  0.994694  0.851192  0.284306  1
  Ni  Ni92  1  0.976255  0.166000  0.304643  1
  Ni  Ni93  1  0.962677  0.484615  0.323252  1
  Ni  Ni94  1  0.631892  0.003297  0.300649  1
  Ni  Ni95  1  0.618671  0.318991  0.322018  1
  Ni  Ni96  1  0.598818  0.634553  0.342173  1
  Ni  Ni97  1  0.448420  0.802665  0.337110  1
  Ni  Ni98  1  0.418226  0.117166  0.359138  1
  Ni  Ni99  1  0.381213  0.433786  0.382621  1
  Ni  Ni100  1  0.082311  0.951765  0.353444  1
  Ni  Ni101  1  0.042407  0.266528  0.381036  1
  Ni  Ni102  1  0.011430  0.584094  0.403020  1
  Ni  Ni103  1  0.948420  0.802665  0.337110  1
  Ni  Ni104  1  0.918226  0.117166  0.359138  1
  Ni  Ni105  1  0.881213  0.433786  0.382621  1
  Ni  Ni106  1  0.582311  0.951765  0.353444  1
  Ni  Ni107  1  0.542407  0.266528  0.381036  1
  Ni  Ni108  1  0.511430  0.584094  0.403020  1
  Ni  Ni109  1  0.343939  0.747498  0.405698  1
  Ni  Ni110  1  0.315697  0.062301  0.424040  1
  Ni  Ni111  1  0.289219  0.377983  0.445154  1
  Ni  Ni112  1  0.975435  0.895279  0.426013  1
  Ni  Ni113  1  0.951136  0.211406  0.444668  1
  Ni  Ni114  1  0.921737  0.527095  0.466400  1
  Ni  Ni115  1  0.843939  0.747498  0.405698  1
  Ni  Ni116  1  0.815697  0.062301  0.424040  1
  Ni  Ni117  1  0.789219  0.377983  0.445154  1
  Ni  Ni118  1  0.475435  0.895279  0.426013  1
  Ni  Ni119  1  0.451136  0.211406  0.444668  1
  Ni  Ni120  1  0.421737  0.527095  0.466400  1
  Ni  Ni121  1  0.259822  0.693728  0.467154  1
  Ni  Ni122  1  0.229504  0.009502  0.488100  1
  Ni  Ni123  1  0.199120  0.324167  0.509192  1
  Ni  Ni124  1  0.893948  0.844395  0.486364  1
  Ni  Ni125  1  0.863564  0.159061  0.507456  1
  Ni  Ni126  1  0.833246  0.474834  0.528403  1
  Ni  Ni127  1  0.759822  0.693728  0.467154  1
  Ni  Ni128  1  0.729504  0.009502  0.488100  1
  Ni  Ni129  1  0.699120  0.324167  0.509192  1
  Ni  Ni130  1  0.393948  0.844395  0.486364  1
  Ni  Ni131  1  0.363564  0.159061  0.507456  1
  Ni  Ni132  1  0.333246  0.474834  0.528403  1
  Ni  Ni133  1  0.171331  0.641468  0.529156  1
  Ni  Ni134  1  0.141932  0.957157  0.550889  1
  Ni  Ni135  1  0.117633  0.273283  0.569543  1
  Ni  Ni136  1  0.803849  0.790580  0.550402  1
  Ni  Ni137  1  0.777371  0.106262  0.571516  1
  Ni  Ni138  1  0.749129  0.421064  0.589858  1
  Ni  Ni139  1  0.671331  0.641468  0.529156  1
  Ni  Ni140  1  0.641932  0.957157  0.550889  1
  Ni  Ni141  1  0.617633  0.273283  0.569543  1
  Ni  Ni142  1  0.303849  0.790580  0.550402  1
  Ni  Ni143  1  0.277371  0.106262  0.571516  1
  Ni  Ni144  1  0.249129  0.421064  0.589858  1
  Ni  Ni145  1  0.081638  0.584469  0.592536  1
  Ni  Ni146  1  0.050661  0.902034  0.614520  1
  Ni  Ni147  1  0.010757  0.216798  0.642112  1
  Ni  Ni148  1  0.711855  0.734776  0.612935  1
  Ni  Ni149  1  0.674842  0.051396  0.636419  1
  Ni  Ni150  1  0.644648  0.365897  0.658447  1
  Ni  Ni151  1  0.581638  0.584469  0.592536  1
  Ni  Ni152  1  0.550661  0.902034  0.614520  1
  Ni  Ni153  1  0.510757  0.216798  0.642112  1
  Ni  Ni154  1  0.211855  0.734776  0.612935  1
  Ni  Ni155  1  0.174842  0.051396  0.636419  1
  Ni  Ni156  1  0.144648  0.365897  0.658447  1
  Ni  Ni157  1  0.994250  0.534009  0.653383  1
  Ni  Ni158  1  0.974397  0.849571  0.673538  1
  Ni  Ni159  1  0.961177  0.165265  0.694908  1
  Ni  Ni160  1  0.630391  0.683948  0.672304  1
  Ni  Ni161  1  0.616813  0.002562  0.690913  1
  Ni  Ni162  1  0.598375  0.317371  0.711251  1
  Ni  Ni163  1  0.494250  0.534009  0.653383  1
  Ni  Ni164  1  0.474397  0.849571  0.673538  1
  Ni  Ni165  1  0.461177  0.165265  0.694908  1
  Ni  Ni166  1  0.130391  0.683948  0.672304  1
  Ni  Ni167  1  0.116813  0.002562  0.690913  1
  Ni  Ni168  1  0.098375  0.317371  0.711251  1
