# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.86394642
_cell_length_b   8.13053204
_cell_length_c   47.18661162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.42802620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr96 Ni96'
_cell_volume   7630.99782807
_cell_formula_units_Z   96
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  0.678663  0.131581  0.343772  1
  Zr  Zr2  1  0.178663  0.131581  0.343772  1
  Zr  Zr3  1  0.692024  0.503345  0.309820  1
  Zr  Zr4  1  0.192024  0.503345  0.309820  1
  Zr  Zr5  1  0.809749  0.116001  0.300980  1
  Zr  Zr6  1  0.309749  0.116001  0.300980  1
  Zr  Zr7  1  0.794224  0.735907  0.333807  1
  Zr  Zr8  1  0.294224  0.735907  0.333807  1
  Zr  Zr9  1  0.442024  0.503345  0.309820  1
  Zr  Zr10  1  0.942024  0.503345  0.309820  1
  Zr  Zr11  1  0.428663  0.131581  0.343772  1
  Zr  Zr12  1  0.928663  0.131581  0.343772  1
  Zr  Zr13  1  0.559749  0.116001  0.300980  1
  Zr  Zr14  1  0.059749  0.116001  0.300980  1
  Zr  Zr15  1  0.544224  0.735907  0.333807  1
  Zr  Zr16  1  0.044224  0.735907  0.333807  1
  Zr  Zr17  1  0.650044  0.378803  0.414512  1
  Zr  Zr18  1  0.150044  0.378803  0.414512  1
  Zr  Zr19  1  0.664577  0.753477  0.377770  1
  Zr  Zr20  1  0.164577  0.753477  0.377770  1
  Zr  Zr21  1  0.781521  0.357717  0.368381  1
  Zr  Zr22  1  0.281521  0.357717  0.368381  1
  Zr  Zr23  1  0.766301  0.981642  0.404883  1
  Zr  Zr24  1  0.266301  0.981642  0.404883  1
  Zr  Zr25  1  0.414577  0.753477  0.377770  1
  Zr  Zr26  1  0.914577  0.753477  0.377770  1
  Zr  Zr27  1  0.400044  0.378803  0.414512  1
  Zr  Zr28  1  0.900044  0.378803  0.414512  1
  Zr  Zr29  1  0.531521  0.357717  0.368381  1
  Zr  Zr30  1  0.031521  0.357717  0.368381  1
  Zr  Zr31  1  0.516301  0.981642  0.404883  1
  Zr  Zr32  1  0.016301  0.981642  0.404883  1
  Zr  Zr33  1  0.620380  0.629710  0.486205  1
  Zr  Zr34  1  0.120380  0.629710  0.486205  1
  Zr  Zr35  1  0.635198  0.004425  0.450797  1
  Zr  Zr36  1  0.135198  0.004425  0.450797  1
  Zr  Zr37  1  0.751247  0.607823  0.440479  1
  Zr  Zr38  1  0.251247  0.607823  0.440479  1
  Zr  Zr39  1  0.736743  0.233087  0.476494  1
  Zr  Zr40  1  0.236743  0.233087  0.476494  1
  Zr  Zr41  1  0.385198  0.004425  0.450797  1
  Zr  Zr42  1  0.885198  0.004425  0.450797  1
  Zr  Zr43  1  0.370380  0.629710  0.486205  1
  Zr  Zr44  1  0.870380  0.629710  0.486205  1
  Zr  Zr45  1  0.501247  0.607823  0.440479  1
  Zr  Zr46  1  1.001247  0.607823  0.440479  1
  Zr  Zr47  1  0.486743  0.233087  0.476494  1
  Zr  Zr48  1  0.986743  0.233087  0.476494  1
  Zr  Zr49  1  0.591245  0.880056  0.558145  1
  Zr  Zr50  1  0.091245  0.880056  0.558145  1
  Zr  Zr51  1  0.605749  0.254792  0.522130  1
  Zr  Zr52  1  0.105749  0.254792  0.522130  1
  Zr  Zr53  1  0.722111  0.858169  0.512419  1
  Zr  Zr54  1  0.222111  0.858169  0.512419  1
  Zr  Zr55  1  0.707294  0.483454  0.547827  1
  Zr  Zr56  1  0.207294  0.483454  0.547827  1
  Zr  Zr57  1  0.355749  0.254792  0.522130  1
  Zr  Zr58  1  0.855749  0.254792  0.522130  1
  Zr  Zr59  1  0.341245  0.880056  0.558145  1
  Zr  Zr60  1  0.841245  0.880056  0.558145  1
  Zr  Zr61  1  0.472111  0.858169  0.512419  1
  Zr  Zr62  1  0.972111  0.858169  0.512419  1
  Zr  Zr63  1  0.457294  0.483454  0.547827  1
  Zr  Zr64  1  0.957294  0.483454  0.547827  1
  Zr  Zr65  1  0.560971  0.130162  0.630243  1
  Zr  Zr66  1  0.060971  0.130162  0.630243  1
  Zr  Zr67  1  0.576191  0.506237  0.593741  1
  Zr  Zr68  1  0.076191  0.506237  0.593741  1
  Zr  Zr69  1  0.692448  0.109076  0.584112  1
  Zr  Zr70  1  0.192448  0.109076  0.584112  1
  Zr  Zr71  1  0.677915  0.734402  0.620854  1
  Zr  Zr72  1  0.177915  0.734402  0.620854  1
  Zr  Zr73  1  0.326191  0.506237  0.593741  1
  Zr  Zr74  1  0.826191  0.506237  0.593741  1
  Zr  Zr75  1  0.310971  0.130162  0.630243  1
  Zr  Zr76  1  0.810971  0.130162  0.630243  1
  Zr  Zr77  1  0.442448  0.109076  0.584112  1
  Zr  Zr78  1  0.942448  0.109076  0.584112  1
  Zr  Zr79  1  0.427915  0.734402  0.620854  1
  Zr  Zr80  1  0.927915  0.734402  0.620854  1
  Zr  Zr81  1  0.532743  0.371878  0.697644  1
  Zr  Zr82  1  0.032743  0.371878  0.697644  1
  Zr  Zr83  1  0.548268  0.751972  0.664817  1
  Zr  Zr84  1  0.048268  0.751972  0.664817  1
  Zr  Zr85  1  0.663829  0.356298  0.654852  1
  Zr  Zr86  1  0.163829  0.356298  0.654852  1
  Zr  Zr87  1  0.650468  0.984534  0.688804  1
  Zr  Zr88  1  0.150468  0.984534  0.688804  1
  Zr  Zr89  1  0.298268  0.751972  0.664817  1
  Zr  Zr90  1  0.798268  0.751972  0.664817  1
  Zr  Zr91  1  0.282743  0.371878  0.697644  1
  Zr  Zr92  1  0.782743  0.371878  0.697644  1
  Zr  Zr93  1  0.413829  0.356298  0.654852  1
  Zr  Zr94  1  0.913829  0.356298  0.654852  1
  Zr  Zr95  1  0.400468  0.984534  0.688804  1
  Zr  Zr96  1  0.900468  0.984534  0.688804  1
  Ni  Ni97  1  0.816947  0.020298  0.353646  1
  Ni  Ni98  1  0.316947  0.020298  0.353646  1
  Ni  Ni99  1  0.830015  0.403335  0.316351  1
  Ni  Ni100  1  0.330015  0.403335  0.316351  1
  Ni  Ni101  1  0.674272  0.207729  0.288312  1
  Ni  Ni102  1  0.174272  0.207729  0.288312  1
  Ni  Ni103  1  0.656705  0.842241  0.321126  1
  Ni  Ni104  1  0.156705  0.842241  0.321126  1
  Ni  Ni105  1  0.580015  0.403335  0.316351  1
  Ni  Ni106  1  0.080015  0.403335  0.316351  1
  Ni  Ni107  1  0.566947  0.020298  0.353646  1
  Ni  Ni108  1  0.066947  0.020298  0.353646  1
  Ni  Ni109  1  0.424272  0.207729  0.288312  1
  Ni  Ni110  1  0.924272  0.207729  0.288312  1
  Ni  Ni111  1  0.406705  0.842241  0.321126  1
  Ni  Ni112  1  0.906705  0.842241  0.321126  1
  Ni  Ni113  1  0.787114  0.273458  0.424777  1
  Ni  Ni114  1  0.287114  0.273458  0.424777  1
  Ni  Ni115  1  0.801465  0.648407  0.388977  1
  Ni  Ni116  1  0.301465  0.648407  0.388977  1
  Ni  Ni117  1  0.642421  0.465373  0.358605  1
  Ni  Ni118  1  0.142421  0.465373  0.358605  1
  Ni  Ni119  1  0.628954  0.086513  0.395368  1
  Ni  Ni120  1  0.128954  0.086513  0.395368  1
  Ni  Ni121  1  0.551465  0.648407  0.388977  1
  Ni  Ni122  1  0.051465  0.648407  0.388977  1
  Ni  Ni123  1  0.537114  0.273458  0.424777  1
  Ni  Ni124  1  0.037114  0.273458  0.424777  1
  Ni  Ni125  1  0.392421  0.465373  0.358605  1
  Ni  Ni126  1  0.892421  0.465373  0.358605  1
  Ni  Ni127  1  0.378954  0.086513  0.395368  1
  Ni  Ni128  1  0.878954  0.086513  0.395368  1
  Ni  Ni129  1  0.757808  0.523909  0.496311  1
  Ni  Ni130  1  0.257808  0.523909  0.496311  1
  Ni  Ni131  1  0.772597  0.898046  0.460664  1
  Ni  Ni132  1  0.272597  0.898046  0.460664  1
  Ni  Ni133  1  0.614300  0.714025  0.430187  1
  Ni  Ni134  1  0.114300  0.714025  0.430187  1
  Ni  Ni135  1  0.599455  0.339125  0.466151  1
  Ni  Ni136  1  0.099455  0.339125  0.466151  1
  Ni  Ni137  1  0.522597  0.898046  0.460664  1
  Ni  Ni138  1  0.022597  0.898046  0.460664  1
  Ni  Ni139  1  0.507808  0.523909  0.496311  1
  Ni  Ni140  1  0.007808  0.523909  0.496311  1
  Ni  Ni141  1  0.364300  0.714025  0.430187  1
  Ni  Ni142  1  0.864300  0.714025  0.430187  1
  Ni  Ni143  1  0.349455  0.339125  0.466151  1
  Ni  Ni144  1  0.849455  0.339125  0.466151  1
  Ni  Ni145  1  0.728192  0.773854  0.568437  1
  Ni  Ni146  1  0.228192  0.773854  0.568437  1
  Ni  Ni147  1  0.743037  0.148754  0.532473  1
  Ni  Ni148  1  0.243037  0.148754  0.532473  1
  Ni  Ni149  1  0.584684  0.963970  0.502312  1
  Ni  Ni150  1  0.084684  0.963970  0.502312  1
  Ni  Ni151  1  0.569894  0.589833  0.537960  1
  Ni  Ni152  1  0.069894  0.589833  0.537960  1
  Ni  Ni153  1  0.493037  0.148754  0.532473  1
  Ni  Ni154  1  0.993037  0.148754  0.532473  1
  Ni  Ni155  1  0.478192  0.773854  0.568437  1
  Ni  Ni156  1  0.978192  0.773854  0.568437  1
  Ni  Ni157  1  0.334684  0.963970  0.502312  1
  Ni  Ni158  1  0.834684  0.963970  0.502312  1
  Ni  Ni159  1  0.319894  0.589833  0.537960  1
  Ni  Ni160  1  0.819894  0.589833  0.537960  1
  Ni  Ni161  1  0.700071  0.022506  0.640019  1
  Ni  Ni162  1  0.200071  0.022506  0.640019  1
  Ni  Ni163  1  0.713538  0.401366  0.603256  1
  Ni  Ni164  1  0.213538  0.401366  0.603256  1
  Ni  Ni165  1  0.555378  0.214421  0.573847  1
  Ni  Ni166  1  0.055378  0.214421  0.573847  1
  Ni  Ni167  1  0.541027  0.839472  0.609647  1
  Ni  Ni168  1  0.041027  0.839472  0.609647  1
  Ni  Ni169  1  0.463538  0.401366  0.603256  1
  Ni  Ni170  1  0.963538  0.401366  0.603256  1
  Ni  Ni171  1  0.450071  0.022506  0.640019  1
  Ni  Ni172  1  0.950071  0.022506  0.640019  1
  Ni  Ni173  1  0.305378  0.214421  0.573847  1
  Ni  Ni174  1  0.805378  0.214421  0.573847  1
  Ni  Ni175  1  0.291027  0.839472  0.609647  1
  Ni  Ni176  1  0.791027  0.839472  0.609647  1
  Ni  Ni177  1  0.668220  0.280150  0.710312  1
  Ni  Ni178  1  0.168220  0.280150  0.710312  1
  Ni  Ni179  1  0.685787  0.645638  0.677498  1
  Ni  Ni180  1  0.185787  0.645638  0.677498  1
  Ni  Ni181  1  0.525545  0.467581  0.644978  1
  Ni  Ni182  1  0.025545  0.467581  0.644978  1
  Ni  Ni183  1  0.512477  0.084544  0.682273  1
  Ni  Ni184  1  0.012477  0.084544  0.682273  1
  Ni  Ni185  1  0.435787  0.645638  0.677498  1
  Ni  Ni186  1  0.935787  0.645638  0.677498  1
  Ni  Ni187  1  0.418220  0.280150  0.710312  1
  Ni  Ni188  1  0.918220  0.280150  0.710312  1
  Ni  Ni189  1  0.275545  0.467581  0.644978  1
  Ni  Ni190  1  0.775545  0.467581  0.644978  1
  Ni  Ni191  1  0.262477  0.084544  0.682273  1
  Ni  Ni192  1  0.762477  0.084544  0.682273  1
