# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45144660
_cell_length_b   12.07472913
_cell_length_c   48.75463618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.19669517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr84 Ni84'
_cell_volume   6121.22280034
_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  0.157929  0.915804  0.292260  1
  Zr  Zr2  1  0.123564  0.226980  0.313143  1
  Zr  Zr3  1  0.188122  0.620943  0.272628  1
  Zr  Zr4  1  0.325400  0.709418  0.327947  1
  Zr  Zr5  1  0.394181  0.094406  0.285556  1
  Zr  Zr6  1  0.359567  0.405292  0.305365  1
  Zr  Zr7  1  0.657929  0.915804  0.292260  1
  Zr  Zr8  1  0.623564  0.226980  0.313143  1
  Zr  Zr9  1  0.688122  0.620943  0.272628  1
  Zr  Zr10  1  0.825400  0.709418  0.327947  1
  Zr  Zr11  1  0.894181  0.094406  0.285556  1
  Zr  Zr12  1  0.859567  0.405292  0.305365  1
  Zr  Zr13  1  0.052888  0.842392  0.357165  1
  Zr  Zr14  1  0.016479  0.147418  0.379226  1
  Zr  Zr15  1  0.088993  0.533143  0.335057  1
  Zr  Zr16  1  0.215886  0.630667  0.394638  1
  Zr  Zr17  1  0.289145  0.016293  0.349251  1
  Zr  Zr18  1  0.252361  0.322592  0.372148  1
  Zr  Zr19  1  0.552888  0.842392  0.357165  1
  Zr  Zr20  1  0.516479  0.147418  0.379226  1
  Zr  Zr21  1  0.588993  0.533143  0.335057  1
  Zr  Zr22  1  0.715886  0.630667  0.394638  1
  Zr  Zr23  1  0.789145  0.016293  0.349251  1
  Zr  Zr24  1  0.752361  0.322592  0.372148  1
  Zr  Zr25  1  0.943935  0.762309  0.424353  1
  Zr  Zr26  1  0.907644  0.069637  0.446551  1
  Zr  Zr27  1  0.980181  0.454614  0.401830  1
  Zr  Zr28  1  0.107545  0.551418  0.461371  1
  Zr  Zr29  1  0.179685  0.937902  0.416880  1
  Zr  Zr30  1  0.143583  0.244451  0.438991  1
  Zr  Zr31  1  0.443935  0.762309  0.424353  1
  Zr  Zr32  1  0.407644  0.069637  0.446551  1
  Zr  Zr33  1  0.480181  0.454614  0.401830  1
  Zr  Zr34  1  0.607545  0.551418  0.461371  1
  Zr  Zr35  1  0.679685  0.937902  0.416880  1
  Zr  Zr36  1  0.643583  0.244451  0.438991  1
  Zr  Zr37  1  0.835281  0.683198  0.491029  1
  Zr  Zr38  1  0.798982  0.990368  0.513306  1
  Zr  Zr39  1  0.871502  0.376152  0.468717  1
  Zr  Zr40  1  0.998777  0.472941  0.528316  1
  Zr  Zr41  1  0.071298  0.858726  0.483728  1
  Zr  Zr42  1  0.034998  0.165896  0.506004  1
  Zr  Zr43  1  0.335281  0.683198  0.491029  1
  Zr  Zr44  1  0.298982  0.990368  0.513306  1
  Zr  Zr45  1  0.371502  0.376152  0.468717  1
  Zr  Zr46  1  0.498777  0.472941  0.528316  1
  Zr  Zr47  1  0.571298  0.858726  0.483728  1
  Zr  Zr48  1  0.534998  0.165896  0.506004  1
  Zr  Zr49  1  0.726696  0.604642  0.558042  1
  Zr  Zr50  1  0.690594  0.911192  0.580153  1
  Zr  Zr51  1  0.762735  0.297675  0.535662  1
  Zr  Zr52  1  0.890098  0.394479  0.595204  1
  Zr  Zr53  1  0.962636  0.779457  0.550482  1
  Zr  Zr54  1  0.926345  0.086784  0.572680  1
  Zr  Zr55  1  0.226696  0.604642  0.558042  1
  Zr  Zr56  1  0.190594  0.911192  0.580153  1
  Zr  Zr57  1  0.262735  0.297675  0.535662  1
  Zr  Zr58  1  0.390098  0.394479  0.595204  1
  Zr  Zr59  1  0.462636  0.779457  0.550482  1
  Zr  Zr60  1  0.426345  0.086784  0.572680  1
  Zr  Zr61  1  0.617919  0.526501  0.624885  1
  Zr  Zr62  1  0.581134  0.832801  0.647783  1
  Zr  Zr63  1  0.654394  0.218426  0.602396  1
  Zr  Zr64  1  0.781287  0.315951  0.661976  1
  Zr  Zr65  1  0.853801  0.701675  0.617807  1
  Zr  Zr66  1  0.817392  0.006701  0.639869  1
  Zr  Zr67  1  0.117919  0.526501  0.624885  1
  Zr  Zr68  1  0.081134  0.832801  0.647783  1
  Zr  Zr69  1  0.154394  0.218426  0.602396  1
  Zr  Zr70  1  0.281287  0.315951  0.661976  1
  Zr  Zr71  1  0.353801  0.701675  0.617807  1
  Zr  Zr72  1  0.317392  0.006701  0.639869  1
  Zr  Zr73  1  0.510713  0.443802  0.691668  1
  Zr  Zr74  1  0.476099  0.754688  0.711477  1
  Zr  Zr75  1  0.544880  0.139675  0.669086  1
  Zr  Zr76  1  0.682158  0.228151  0.724405  1
  Zr  Zr77  1  0.746716  0.622114  0.683891  1
  Zr  Zr78  1  0.712350  0.933289  0.704773  1
  Zr  Zr79  1  0.010713  0.443802  0.691668  1
  Zr  Zr80  1  0.976099  0.754688  0.711477  1
  Zr  Zr81  1  0.044880  0.139675  0.669086  1
  Zr  Zr82  1  0.182158  0.228151  0.724405  1
  Zr  Zr83  1  0.246716  0.622114  0.683891  1
  Zr  Zr84  1  0.212350  0.933289  0.704773  1
  Ni  Ni85  1  0.410768  0.895132  0.308434  1
  Ni  Ni86  1  0.482294  0.278866  0.267260  1
  Ni  Ni87  1  0.444867  0.592277  0.286700  1
  Ni  Ni88  1  0.071151  0.731251  0.310109  1
  Ni  Ni89  1  0.034910  0.037634  0.330647  1
  Ni  Ni90  1  0.107381  0.426104  0.286662  1
  Ni  Ni91  1  0.910768  0.895132  0.308434  1
  Ni  Ni92  1  0.982294  0.278866  0.267260  1
  Ni  Ni93  1  0.944867  0.592277  0.286700  1
  Ni  Ni94  1  0.571151  0.731251  0.310109  1
  Ni  Ni95  1  0.534910  0.037634  0.330647  1
  Ni  Ni96  1  0.607381  0.426104  0.286662  1
  Ni  Ni97  1  0.304914  0.819425  0.376499  1
  Ni  Ni98  1  0.377333  0.207423  0.330434  1
  Ni  Ni99  1  0.341103  0.511600  0.354103  1
  Ni  Ni100  1  0.964190  0.653393  0.375960  1
  Ni  Ni101  1  0.927776  0.960172  0.398292  1
  Ni  Ni102  1  0.000361  0.345163  0.353094  1
  Ni  Ni103  1  0.804914  0.819425  0.376499  1
  Ni  Ni104  1  0.877333  0.207423  0.330434  1
  Ni  Ni105  1  0.841103  0.511600  0.354103  1
  Ni  Ni106  1  0.464190  0.653393  0.375960  1
  Ni  Ni107  1  0.427776  0.960172  0.398292  1
  Ni  Ni108  1  0.500361  0.345163  0.353094  1
  Ni  Ni109  1  0.195918  0.740057  0.443068  1
  Ni  Ni110  1  0.267958  0.125300  0.398453  1
  Ni  Ni111  1  0.232231  0.432576  0.420674  1
  Ni  Ni112  1  0.855628  0.573722  0.442477  1
  Ni  Ni113  1  0.819330  0.881175  0.464805  1
  Ni  Ni114  1  0.891798  0.266253  0.420096  1
  Ni  Ni115  1  0.695918  0.740057  0.443068  1
  Ni  Ni116  1  0.767958  0.125300  0.398453  1
  Ni  Ni117  1  0.732231  0.432576  0.420674  1
  Ni  Ni118  1  0.355628  0.573722  0.442477  1
  Ni  Ni119  1  0.319330  0.881175  0.464805  1
  Ni  Ni120  1  0.391798  0.266253  0.420096  1
  Ni  Ni121  1  0.087310  0.660922  0.509902  1
  Ni  Ni122  1  0.159555  0.047214  0.465332  1
  Ni  Ni123  1  0.123335  0.354115  0.487614  1
  Ni  Ni124  1  0.746945  0.494978  0.509420  1
  Ni  Ni125  1  0.710724  0.801880  0.531701  1
  Ni  Ni126  1  0.782969  0.188171  0.487131  1
  Ni  Ni127  1  0.587310  0.660922  0.509902  1
  Ni  Ni128  1  0.659555  0.047214  0.465332  1
  Ni  Ni129  1  0.623335  0.354115  0.487614  1
  Ni  Ni130  1  0.246945  0.494978  0.509420  1
  Ni  Ni131  1  0.210724  0.801880  0.531701  1
  Ni  Ni132  1  0.282969  0.188171  0.487131  1
  Ni  Ni133  1  0.978482  0.582840  0.576938  1
  Ni  Ni134  1  0.050950  0.967919  0.532229  1
  Ni  Ni135  1  0.014652  0.275372  0.554557  1
  Ni  Ni136  1  0.638049  0.416517  0.576359  1
  Ni  Ni137  1  0.602321  0.723793  0.598580  1
  Ni  Ni138  1  0.674362  0.109036  0.553965  1
  Ni  Ni139  1  0.478482  0.582840  0.576938  1
  Ni  Ni140  1  0.550950  0.967919  0.532229  1
  Ni  Ni141  1  0.514652  0.275372  0.554557  1
  Ni  Ni142  1  0.138049  0.416517  0.576359  1
  Ni  Ni143  1  0.102321  0.723793  0.598580  1
  Ni  Ni144  1  0.174362  0.109036  0.553965  1
  Ni  Ni145  1  0.869918  0.503930  0.643940  1
  Ni  Ni146  1  0.942504  0.888922  0.598741  1
  Ni  Ni147  1  0.906090  0.195701  0.621073  1
  Ni  Ni148  1  0.529177  0.337493  0.642931  1
  Ni  Ni149  1  0.492946  0.641670  0.666599  1
  Ni  Ni150  1  0.565366  0.029669  0.620535  1
  Ni  Ni151  1  0.369918  0.503930  0.643940  1
  Ni  Ni152  1  0.442504  0.888922  0.598741  1
  Ni  Ni153  1  0.406090  0.195701  0.621073  1
  Ni  Ni154  1  0.029177  0.337493  0.642931  1
  Ni  Ni155  1  0.992946  0.641670  0.666599  1
  Ni  Ni156  1  0.065366  0.029669  0.620535  1
  Ni  Ni157  1  0.762899  0.422990  0.710371  1
  Ni  Ni158  1  0.835370  0.811459  0.666386  1
  Ni  Ni159  1  0.799129  0.117843  0.686924  1
  Ni  Ni160  1  0.425413  0.256816  0.710334  1
  Ni  Ni161  1  0.387986  0.570227  0.729774  1
  Ni  Ni162  1  0.459512  0.953961  0.688599  1
  Ni  Ni163  1  0.262899  0.422990  0.710371  1
  Ni  Ni164  1  0.335370  0.811459  0.666386  1
  Ni  Ni165  1  0.299129  0.117843  0.686924  1
  Ni  Ni166  1  0.925413  0.256816  0.710334  1
  Ni  Ni167  1  0.887986  0.570227  0.729774  1
  Ni  Ni168  1  0.959512  0.953961  0.688599  1
