# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.84017862
_cell_length_b   5.30639277
_cell_length_c   45.53860551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.60232985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr64 Ni64'
_cell_volume   4773.03548234
_cell_formula_units_Z   64
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  0.229957  0.324371  0.306979  1
  Zr  Zr2  1  0.740409  0.494780  0.279443  1
  Zr  Zr3  1  0.339074  0.789298  0.311366  1
  Zr  Zr4  1  0.853373  0.956791  0.285395  1
  Zr  Zr5  1  0.981865  0.244138  0.319093  1
  Zr  Zr6  1  0.485586  0.407328  0.293746  1
  Zr  Zr7  1  0.085505  0.706866  0.325653  1
  Zr  Zr8  1  0.594404  0.877102  0.296640  1
  Zr  Zr9  1  0.218837  0.996415  0.363394  1
  Zr  Zr10  1  0.728755  0.174704  0.335596  1
  Zr  Zr11  1  0.325721  0.457077  0.368156  1
  Zr  Zr12  1  0.829253  0.640570  0.341456  1
  Zr  Zr13  1  0.961272  0.911179  0.375956  1
  Zr  Zr14  1  0.473200  0.083098  0.349660  1
  Zr  Zr15  1  0.072156  0.368059  0.382126  1
  Zr  Zr16  1  0.579270  0.551030  0.353974  1
  Zr  Zr17  1  0.196999  0.623109  0.417694  1
  Zr  Zr18  1  0.704375  0.809199  0.390440  1
  Zr  Zr19  1  0.308771  0.079250  0.424536  1
  Zr  Zr20  1  0.819744  0.262596  0.396919  1
  Zr  Zr21  1  0.944955  0.529612  0.431457  1
  Zr  Zr22  1  0.451224  0.713965  0.404034  1
  Zr  Zr23  1  0.054175  0.990005  0.438033  1
  Zr  Zr24  1  0.563727  0.169779  0.410328  1
  Zr  Zr25  1  0.182970  0.271534  0.474369  1
  Zr  Zr26  1  0.690853  0.445014  0.446166  1
  Zr  Zr27  1  0.291936  0.732529  0.480416  1
  Zr  Zr28  1  0.799484  0.906324  0.452783  1
  Zr  Zr29  1  0.928436  0.186926  0.488113  1
  Zr  Zr30  1  0.436837  0.358695  0.460142  1
  Zr  Zr31  1  0.038098  0.646432  0.494156  1
  Zr  Zr32  1  0.545948  0.820874  0.466527  1
  Zr  Zr33  1  0.166470  0.923145  0.529497  1
  Zr  Zr34  1  0.674320  0.097587  0.501868  1
  Zr  Zr35  1  0.275581  0.385323  0.535882  1
  Zr  Zr36  1  0.783982  0.557093  0.507911  1
  Zr  Zr37  1  0.912934  0.837695  0.543241  1
  Zr  Zr38  1  0.420481  0.011489  0.515608  1
  Zr  Zr39  1  0.021565  0.299004  0.549857  1
  Zr  Zr40  1  0.529448  0.472484  0.521655  1
  Zr  Zr41  1  0.148690  0.574240  0.585695  1
  Zr  Zr42  1  0.658242  0.754013  0.557991  1
  Zr  Zr43  1  0.261193  0.030054  0.591990  1
  Zr  Zr44  1  0.767462  0.214406  0.564567  1
  Zr  Zr45  1  0.892674  0.481423  0.599105  1
  Zr  Zr46  1  0.403646  0.664768  0.571488  1
  Zr  Zr47  1  0.008043  0.934819  0.605583  1
  Zr  Zr48  1  0.515419  0.120910  0.578330  1
  Zr  Zr49  1  0.133148  0.192988  0.642050  1
  Zr  Zr50  1  0.640262  0.375959  0.613898  1
  Zr  Zr51  1  0.239217  0.660920  0.646363  1
  Zr  Zr52  1  0.751145  0.832840  0.620067  1
  Zr  Zr53  1  0.883165  0.103449  0.654567  1
  Zr  Zr54  1  0.386697  0.286942  0.627868  1
  Zr  Zr55  1  0.983663  0.569314  0.660428  1
  Zr  Zr56  1  0.493581  0.747604  0.632630  1
  Zr  Zr57  1  0.118013  0.866916  0.699384  1
  Zr  Zr58  1  0.626912  0.037152  0.670371  1
  Zr  Zr59  1  0.226831  0.336691  0.702278  1
  Zr  Zr60  1  0.730553  0.499881  0.676931  1
  Zr  Zr61  1  0.859044  0.787227  0.710629  1
  Zr  Zr62  1  0.373344  0.954720  0.684658  1
  Zr  Zr63  1  0.972008  0.249239  0.716581  1
  Zr  Zr64  1  0.482460  0.419647  0.689044  1
  Ni  Ni65  1  0.368417  0.262682  0.317283  1
  Ni  Ni66  1  0.872542  0.438071  0.292742  1
  Ni  Ni67  1  0.204338  0.821579  0.310800  1
  Ni  Ni68  1  0.716861  0.990097  0.284307  1
  Ni  Ni69  1  0.115949  0.179440  0.331102  1
  Ni  Ni70  1  0.623771  0.350424  0.303176  1
  Ni  Ni71  1  0.948719  0.738007  0.321703  1
  Ni  Ni72  1  0.459723  0.903553  0.297876  1
  Ni  Ni73  1  0.355644  0.953262  0.366513  1
  Ni  Ni74  1  0.865545  0.131577  0.339324  1
  Ni  Ni75  1  0.187669  0.514754  0.357509  1
  Ni  Ni76  1  0.694133  0.688561  0.330020  1
  Ni  Ni77  1  0.100433  0.864644  0.380737  1
  Ni  Ni78  1  0.609543  0.050025  0.351444  1
  Ni  Ni79  1  0.935050  0.430447  0.370562  1
  Ni  Ni80  1  0.440912  0.598159  0.343995  1
  Ni  Ni81  1  0.335294  0.565813  0.427402  1
  Ni  Ni82  1  0.844848  0.751779  0.399034  1
  Ni  Ni83  1  0.169506  0.129790  0.417951  1
  Ni  Ni84  1  0.678852  0.320472  0.388541  1
  Ni  Ni85  1  0.082060  0.474799  0.441652  1
  Ni  Ni86  1  0.589315  0.654293  0.413546  1
  Ni  Ni87  1  0.916129  0.032238  0.432638  1
  Ni  Ni88  1  0.423721  0.222617  0.403570  1
  Ni  Ni89  1  0.320713  0.222912  0.481801  1
  Ni  Ni90  1  0.829061  0.397071  0.454056  1
  Ni  Ni91  1  0.154064  0.783743  0.471934  1
  Ni  Ni92  1  0.661684  0.953939  0.445106  1
  Ni  Ni93  1  0.066500  0.135875  0.495614  1
  Ni  Ni94  1  0.574739  0.311433  0.467744  1
  Ni  Ni95  1  0.900306  0.698444  0.485612  1
  Ni  Ni96  1  0.407876  0.867689  0.458640  1
  Ni  Ni97  1  0.304542  0.876329  0.537383  1
  Ni  Ni98  1  0.812112  0.045574  0.510412  1
  Ni  Ni99  1  0.137678  0.432585  0.528279  1
  Ni  Ni100  1  0.645917  0.608144  0.500409  1
  Ni  Ni101  1  0.050733  0.790079  0.550917  1
  Ni  Ni102  1  0.558354  0.960275  0.524089  1
  Ni  Ni103  1  0.883357  0.346948  0.541968  1
  Ni  Ni104  1  0.391705  0.521106  0.514222  1
  Ni  Ni105  1  0.288697  0.521402  0.592454  1
  Ni  Ni106  1  0.796288  0.711781  0.563386  1
  Ni  Ni107  1  0.123102  0.089725  0.582478  1
  Ni  Ni108  1  0.630357  0.269220  0.554372  1
  Ni  Ni109  1  0.033565  0.423546  0.607483  1
  Ni  Ni110  1  0.542912  0.614229  0.578073  1
  Ni  Ni111  1  0.867569  0.992240  0.596990  1
  Ni  Ni112  1  0.377123  0.178205  0.568622  1
  Ni  Ni113  1  0.271506  0.145859  0.652028  1
  Ni  Ni114  1  0.777368  0.313571  0.625462  1
  Ni  Ni115  1  0.102875  0.693993  0.644579  1
  Ni  Ni116  1  0.611985  0.879374  0.615287  1
  Ni  Ni117  1  0.018285  0.055457  0.666004  1
  Ni  Ni118  1  0.524749  0.229264  0.638515  1
  Ni  Ni119  1  0.846872  0.612442  0.656699  1
  Ni  Ni120  1  0.356773  0.790756  0.629510  1
  Ni  Ni121  1  0.252694  0.840465  0.698147  1
  Ni  Ni122  1  0.763698  0.006011  0.674321  1
  Ni  Ni123  1  0.088646  0.393594  0.692848  1
  Ni  Ni124  1  0.596469  0.564579  0.664922  1
  Ni  Ni125  1  0.995557  0.753921  0.711717  1
  Ni  Ni126  1  0.508080  0.922440  0.685223  1
  Ni  Ni127  1  0.839875  0.305947  0.703282  1
  Ni  Ni128  1  0.344000  0.481337  0.678740  1
