# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.61162768
_cell_length_b   10.35619997
_cell_length_c   47.14586006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   50.81347515
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr72 Ni72'
_cell_volume   5151.19426687
_cell_formula_units_Z   72
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  0.136678  0.087046  0.287454  1
  Zr  Zr2  1  0.107834  0.813990  0.310771  1
  Zr  Zr3  1  0.039808  0.609136  0.338605  1
  Zr  Zr4  1  0.371109  0.675232  0.279991  1
  Zr  Zr5  1  0.346302  0.399519  0.301838  1
  Zr  Zr6  1  0.275638  0.196492  0.327832  1
  Zr  Zr7  1  0.539808  0.609136  0.338605  1
  Zr  Zr8  1  0.636678  0.087046  0.287454  1
  Zr  Zr9  1  0.607834  0.813990  0.310771  1
  Zr  Zr10  1  0.846302  0.399519  0.301838  1
  Zr  Zr11  1  0.775638  0.196492  0.327832  1
  Zr  Zr12  1  0.871109  0.675232  0.279991  1
  Zr  Zr13  1  0.010923  0.343708  0.361644  1
  Zr  Zr14  1  0.952010  0.125983  0.388494  1
  Zr  Zr15  1  0.913640  0.874261  0.413267  1
  Zr  Zr16  1  0.248748  0.927150  0.352930  1
  Zr  Zr17  1  0.187395  0.709214  0.380063  1
  Zr  Zr18  1  0.153231  0.453404  0.405209  1
  Zr  Zr19  1  0.413640  0.874261  0.413267  1
  Zr  Zr20  1  0.510923  0.343708  0.361644  1
  Zr  Zr21  1  0.452010  0.125983  0.388494  1
  Zr  Zr22  1  0.687395  0.709214  0.380063  1
  Zr  Zr23  1  0.653231  0.453404  0.405209  1
  Zr  Zr24  1  0.748748  0.927150  0.352930  1
  Zr  Zr25  1  0.864964  0.641651  0.440121  1
  Zr  Zr26  1  0.822686  0.397710  0.464911  1
  Zr  Zr27  1  0.776134  0.161298  0.491014  1
  Zr  Zr28  1  0.102229  0.221834  0.431014  1
  Zr  Zr29  1  0.060938  0.976893  0.456665  1
  Zr  Zr30  1  0.013813  0.740261  0.482684  1
  Zr  Zr31  1  0.276134  0.161298  0.491014  1
  Zr  Zr32  1  0.364964  0.641651  0.440121  1
  Zr  Zr33  1  0.322686  0.397710  0.464911  1
  Zr  Zr34  1  0.560938  0.976893  0.456665  1
  Zr  Zr35  1  0.513813  0.740261  0.482684  1
  Zr  Zr36  1  0.602229  0.221834  0.431014  1
  Zr  Zr37  1  0.732875  0.919412  0.516424  1
  Zr  Zr38  1  0.685750  0.682779  0.542443  1
  Zr  Zr39  1  0.644459  0.437839  0.568094  1
  Zr  Zr40  1  0.970554  0.498374  0.508094  1
  Zr  Zr41  1  0.924002  0.261962  0.534197  1
  Zr  Zr42  1  0.881724  0.018022  0.558986  1
  Zr  Zr43  1  0.144459  0.437839  0.568094  1
  Zr  Zr44  1  0.232875  0.919412  0.516424  1
  Zr  Zr45  1  0.185750  0.682779  0.542443  1
  Zr  Zr46  1  0.424002  0.261962  0.534197  1
  Zr  Zr47  1  0.381724  0.018022  0.558986  1
  Zr  Zr48  1  0.470554  0.498374  0.508094  1
  Zr  Zr49  1  0.593457  0.206268  0.593899  1
  Zr  Zr50  1  0.559293  0.950458  0.619045  1
  Zr  Zr51  1  0.497940  0.732522  0.646178  1
  Zr  Zr52  1  0.833048  0.785412  0.585840  1
  Zr  Zr53  1  0.794678  0.533689  0.610614  1
  Zr  Zr54  1  0.735765  0.315964  0.637463  1
  Zr  Zr55  1  0.997940  0.732522  0.646178  1
  Zr  Zr56  1  0.093457  0.206268  0.593899  1
  Zr  Zr57  1  0.059293  0.950458  0.619045  1
  Zr  Zr58  1  0.294678  0.533689  0.610614  1
  Zr  Zr59  1  0.235765  0.315964  0.637463  1
  Zr  Zr60  1  0.333048  0.785412  0.585840  1
  Zr  Zr61  1  0.471050  0.463180  0.671276  1
  Zr  Zr62  1  0.400386  0.260153  0.697269  1
  Zr  Zr63  1  0.375579  0.984440  0.719116  1
  Zr  Zr64  1  0.706880  0.050537  0.660503  1
  Zr  Zr65  1  0.638854  0.845682  0.688337  1
  Zr  Zr66  1  0.610010  0.572626  0.711654  1
  Zr  Zr67  1  0.875579  0.984440  0.719116  1
  Zr  Zr68  1  0.971050  0.463180  0.671276  1
  Zr  Zr69  1  0.900386  0.260153  0.697269  1
  Zr  Zr70  1  0.138854  0.845682  0.688337  1
  Zr  Zr71  1  0.110010  0.572626  0.711654  1
  Zr  Zr72  1  0.206880  0.050537  0.660503  1
  Ni  Ni73  1  0.386467  0.888273  0.304491  1
  Ni  Ni74  1  0.338702  0.616381  0.334217  1
  Ni  Ni75  1  0.427839  0.090493  0.283875  1
  Ni  Ni76  1  1.001239  0.118090  0.333145  1
  Ni  Ni77  1  0.100673  0.577417  0.285425  1
  Ni  Ni78  1  0.045524  0.393145  0.305042  1
  Ni  Ni79  1  0.927839  0.090493  0.283875  1
  Ni  Ni80  1  0.886467  0.888273  0.304491  1
  Ni  Ni81  1  0.838702  0.616381  0.334217  1
  Ni  Ni82  1  0.600673  0.577417  0.285425  1
  Ni  Ni83  1  0.545524  0.393145  0.305042  1
  Ni  Ni84  1  0.501239  0.118090  0.333145  1
  Ni  Ni85  1  0.245816  0.148724  0.384571  1
  Ni  Ni86  1  0.198864  0.923417  0.409101  1
  Ni  Ni87  1  0.288254  0.415334  0.356141  1
  Ni  Ni88  1  0.861691  0.429700  0.408106  1
  Ni  Ni89  1  0.951437  0.919847  0.355076  1
  Ni  Ni90  1  0.906568  0.643323  0.385777  1
  Ni  Ni91  1  0.788254  0.415334  0.356141  1
  Ni  Ni92  1  0.745816  0.148724  0.384571  1
  Ni  Ni93  1  0.698864  0.923417  0.409101  1
  Ni  Ni94  1  0.451437  0.919847  0.355076  1
  Ni  Ni95  1  0.406568  0.643323  0.385777  1
  Ni  Ni96  1  0.361691  0.429700  0.408106  1
  Ni  Ni97  1  0.109597  0.439569  0.460897  1
  Ni  Ni98  1  0.064114  0.196519  0.487082  1
  Ni  Ni99  1  0.153804  0.674153  0.435835  1
  Ni  Ni100  1  0.726860  0.698712  0.486787  1
  Ni  Ni101  1  0.817090  0.174458  0.435661  1
  Ni  Ni102  1  0.772220  0.945371  0.460159  1
  Ni  Ni103  1  0.653804  0.674153  0.435835  1
  Ni  Ni104  1  0.609597  0.439569  0.460897  1
  Ni  Ni105  1  0.564114  0.196519  0.487082  1
  Ni  Ni106  1  0.317090  0.174458  0.435661  1
  Ni  Ni107  1  0.272220  0.945371  0.460159  1
  Ni  Ni108  1  0.226860  0.698712  0.486787  1
  Ni  Ni109  1  0.974468  0.714301  0.538948  1
  Ni  Ni110  1  0.929598  0.485214  0.563447  1
  Ni  Ni111  1  0.019828  0.960961  0.512321  1
  Ni  Ni112  1  0.592885  0.985520  0.563273  1
  Ni  Ni113  1  0.682574  0.463154  0.512026  1
  Ni  Ni114  1  0.637091  0.220104  0.538210  1
  Ni  Ni115  1  0.519828  0.960961  0.512321  1
  Ni  Ni116  1  0.474468  0.714301  0.538948  1
  Ni  Ni117  1  0.429598  0.485214  0.563447  1
  Ni  Ni118  1  0.182574  0.463154  0.512026  1
  Ni  Ni119  1  0.137091  0.220104  0.538210  1
  Ni  Ni120  1  0.092885  0.985520  0.563273  1
  Ni  Ni121  1  0.840120  0.016349  0.613330  1
  Ni  Ni122  1  0.795251  0.739825  0.644032  1
  Ni  Ni123  1  0.884997  0.229972  0.591002  1
  Ni  Ni124  1  0.458434  0.244338  0.642967  1
  Ni  Ni125  1  0.547824  0.736255  0.590006  1
  Ni  Ni126  1  0.500872  0.510948  0.614537  1
  Ni  Ni127  1  0.384997  0.229972  0.591002  1
  Ni  Ni128  1  0.340120  0.016349  0.613330  1
  Ni  Ni129  1  0.295251  0.739825  0.644032  1
  Ni  Ni130  1  0.047824  0.736255  0.590006  1
  Ni  Ni131  1  1.000872  0.510948  0.614537  1
  Ni  Ni132  1  0.958434  0.244338  0.642967  1
  Ni  Ni133  1  0.701164  0.266527  0.694066  1
  Ni  Ni134  1  0.646015  0.082256  0.713683  1
  Ni  Ni135  1  0.745449  0.541583  0.665963  1
  Ni  Ni136  1  0.318849  0.569179  0.715233  1
  Ni  Ni137  1  0.407986  0.043291  0.664891  1
  Ni  Ni138  1  0.360221  0.771400  0.694617  1
  Ni  Ni139  1  0.245449  0.541583  0.665963  1
  Ni  Ni140  1  0.201164  0.266527  0.694066  1
  Ni  Ni141  1  0.146015  0.082256  0.713683  1
  Ni  Ni142  1  0.907986  0.043291  0.664891  1
  Ni  Ni143  1  0.860221  0.771400  0.694617  1
  Ni  Ni144  1  0.818849  0.569179  0.715233  1
