# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03697241
_cell_length_b   17.05013271
_cell_length_c   48.86999574
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.49134739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr120 Ni60'
_cell_volume   7256.40846034
_cell_formula_units_Z   60
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  0.727948  0.916879  0.293540  1
  Zr  Zr2  1  0.883072  0.226928  0.324709  1
  Zr  Zr3  1  0.036138  0.532843  0.354340  1
  Zr  Zr4  1  0.385094  0.892934  0.325607  1
  Zr  Zr5  1  0.538667  0.198127  0.355593  1
  Zr  Zr6  1  0.232358  0.583377  0.295044  1
  Zr  Zr7  1  0.468010  0.740348  0.309983  1
  Zr  Zr8  1  0.623302  0.046161  0.340135  1
  Zr  Zr9  1  0.301358  0.417844  0.281623  1
  Zr  Zr10  1  0.125028  0.711087  0.339945  1
  Zr  Zr11  1  0.818505  0.098004  0.281668  1
  Zr  Zr12  1  0.972375  0.405808  0.308820  1
  Zr  Zr13  1  0.149585  0.760443  0.279074  1
  Zr  Zr14  1  0.306659  0.074163  0.310399  1
  Zr  Zr15  1  0.459408  0.379471  0.339769  1
  Zr  Zr16  1  0.811126  0.740287  0.309957  1
  Zr  Zr17  1  0.962037  0.046138  0.340106  1
  Zr  Zr18  1  0.655626  0.417851  0.281622  1
  Zr  Zr19  1  0.046879  0.892934  0.325620  1
  Zr  Zr20  1  0.198729  0.198146  0.355623  1
  Zr  Zr21  1  0.889936  0.583389  0.295101  1
  Zr  Zr22  1  0.240387  0.941910  0.268156  1
  Zr  Zr23  1  0.394652  0.250459  0.295364  1
  Zr  Zr24  1  0.548942  0.559017  0.319891  1
  Zr  Zr25  1  0.189252  0.838953  0.385694  1
  Zr  Zr26  1  0.343316  0.146888  0.415842  1
  Zr  Zr27  1  0.497243  0.454609  0.445606  1
  Zr  Zr28  1  0.844554  0.812379  0.415945  1
  Zr  Zr29  1  0.999351  0.120487  0.446618  1
  Zr  Zr30  1  0.691444  0.506022  0.385171  1
  Zr  Zr31  1  0.929964  0.659090  0.400763  1
  Zr  Zr32  1  0.083447  0.966217  0.431784  1
  Zr  Zr33  1  0.776897  0.352125  0.370186  1
  Zr  Zr34  1  0.586237  0.632947  0.431332  1
  Zr  Zr35  1  0.278801  0.018390  0.371462  1
  Zr  Zr36  1  0.432573  0.325753  0.401325  1
  Zr  Zr37  1  0.611916  0.684421  0.368734  1
  Zr  Zr38  1  0.766311  0.992970  0.400371  1
  Zr  Zr39  1  0.920343  0.300858  0.430560  1
  Zr  Zr40  1  0.268610  0.659078  0.400731  1
  Zr  Zr41  1  0.422432  0.966225  0.431755  1
  Zr  Zr42  1  0.114575  0.352134  0.370154  1
  Zr  Zr43  1  0.507381  0.812385  0.415978  1
  Zr  Zr44  1  0.660908  0.120486  0.446652  1
  Zr  Zr45  1  0.354078  0.506032  0.385180  1
  Zr  Zr46  1  0.702099  0.865098  0.355318  1
  Zr  Zr47  1  0.855624  0.171920  0.386270  1
  Zr  Zr48  1  0.009510  0.479515  0.416238  1
  Zr  Zr49  1  0.650676  0.761331  0.476272  1
  Zr  Zr50  1  0.804606  0.069018  0.506616  1
  Zr  Zr51  1  0.958836  0.377316  0.536915  1
  Zr  Zr52  1  0.306948  0.735129  0.507334  1
  Zr  Zr53  1  0.460843  0.042645  0.537494  1
  Zr  Zr54  1  0.153483  0.428220  0.476649  1
  Zr  Zr55  1  0.391731  0.581731  0.491933  1
  Zr  Zr56  1  0.545111  0.888732  0.522456  1
  Zr  Zr57  1  0.237804  0.274611  0.461668  1
  Zr  Zr58  1  0.047814  0.555620  0.522914  1
  Zr  Zr59  1  0.739854  0.940006  0.462193  1
  Zr  Zr60  1  0.894090  0.248313  0.492392  1
  Zr  Zr61  1  0.073877  0.607796  0.461085  1
  Zr  Zr62  1  0.227553  0.915002  0.491737  1
  Zr  Zr63  1  0.381821  0.223367  0.521780  1
  Zr  Zr64  1  0.729980  0.581732  0.491902  1
  Zr  Zr65  1  0.883755  0.888730  0.522426  1
  Zr  Zr66  1  0.576643  0.274611  0.461637  1
  Zr  Zr67  1  0.968233  0.735128  0.507365  1
  Zr  Zr68  1  0.122005  0.042643  0.537526  1
  Zr  Zr69  1  0.814654  0.428221  0.476680  1
  Zr  Zr70  1  0.162904  0.786203  0.447129  1
  Zr  Zr71  1  0.316975  0.094168  0.477505  1
  Zr  Zr72  1  0.471048  0.402150  0.507613  1
  Zr  Zr73  1  0.112093  0.683724  0.567946  1
  Zr  Zr74  1  0.266025  0.991411  0.597685  1
  Zr  Zr75  1  0.419869  0.298852  0.628385  1
  Zr  Zr76  1  0.767537  0.657350  0.598826  1
  Zr  Zr77  1  0.921694  0.964723  0.628573  1
  Zr  Zr78  1  0.614847  0.351445  0.567838  1
  Zr  Zr79  1  0.853764  0.504878  0.583372  1
  Zr  Zr80  1  1.006860  0.810559  0.613884  1
  Zr  Zr81  1  0.699128  0.196889  0.552337  1
  Zr  Zr82  1  0.509797  0.479061  0.614971  1
  Zr  Zr83  1  0.201231  0.862313  0.553544  1
  Zr  Zr84  1  0.355466  0.170623  0.583378  1
  Zr  Zr85  1  0.535539  0.530638  0.552530  1
  Zr  Zr86  1  0.688866  0.837199  0.582835  1
  Zr  Zr87  1  0.842912  0.145079  0.612566  1
  Zr  Zr88  1  0.191593  0.504861  0.583336  1
  Zr  Zr89  1  0.344241  0.810557  0.613865  1
  Zr  Zr90  1  0.038070  0.196896  0.552308  1
  Zr  Zr91  1  0.430279  0.657368  0.598839  1
  Zr  Zr92  1  0.583729  0.964724  0.628596  1
  Zr  Zr93  1  0.277008  0.351440  0.567869  1
  Zr  Zr94  1  0.624448  0.708813  0.538298  1
  Zr  Zr95  1  0.778214  0.016195  0.568359  1
  Zr  Zr96  1  0.932433  0.324446  0.598313  1
  Zr  Zr97  1  0.571928  0.602778  0.663380  1
  Zr  Zr98  1  0.726082  0.911176  0.689774  1
  Zr  Zr99  1  0.881519  0.221821  0.716452  1
  Zr  Zr100  1  0.229360  0.577609  0.689187  1
  Zr  Zr101  1  0.398031  0.901880  0.717251  1
  Zr  Zr102  1  0.074226  0.270697  0.658452  1
  Zr  Zr103  1  0.310343  0.422808  0.673755  1
  Zr  Zr104  1  0.466503  0.736960  0.703942  1
  Zr  Zr105  1  0.160701  0.119247  0.643397  1
  Zr  Zr106  1  0.971686  0.402055  0.704982  1
  Zr  Zr107  1  0.661590  0.782595  0.644615  1
  Zr  Zr108  1  0.815055  0.089258  0.674085  1
  Zr  Zr109  1  0.996746  0.452472  0.643896  1
  Zr  Zr110  1  0.149597  0.758291  0.679200  1
  Zr  Zr111  1  0.304415  0.067696  0.702894  1
  Zr  Zr112  1  0.653584  0.422741  0.673728  1
  Zr  Zr113  1  0.811160  0.736821  0.703918  1
  Zr  Zr114  1  0.499334  0.119228  0.643366  1
  Zr  Zr115  1  0.889359  0.577593  0.689246  1
  Zr  Zr116  1  0.044574  0.901838  0.717254  1
  Zr  Zr117  1  0.737452  0.270695  0.658469  1
  Zr  Zr118  1  0.086515  0.632486  0.630536  1
  Zr  Zr119  1  0.238938  0.937210  0.659036  1
  Zr  Zr120  1  0.394419  0.247809  0.690282  1
  Ni  Ni121  1  0.950220  0.858506  0.273999  1
  Ni  Ni122  1  0.100341  0.163987  0.302429  1
  Ni  Ni123  1  0.253262  0.468490  0.332129  1
  Ni  Ni124  1  0.024700  0.011450  0.287880  1
  Ni  Ni125  1  0.174638  0.312910  0.318236  1
  Ni  Ni126  1  0.334059  0.621886  0.346975  1
  Ni  Ni127  1  0.525731  0.011434  0.287918  1
  Ni  Ni128  1  0.677389  0.312902  0.318242  1
  Ni  Ni129  1  0.826934  0.621862  0.346997  1
  Ni  Ni130  1  0.446939  0.858595  0.273997  1
  Ni  Ni131  1  0.602630  0.164012  0.302389  1
  Ni  Ni132  1  0.754423  0.468474  0.332146  1
  Ni  Ni133  1  0.407753  0.774828  0.363239  1
  Ni  Ni134  1  0.560730  0.081839  0.394201  1
  Ni  Ni135  1  0.715051  0.390128  0.423423  1
  Ni  Ni136  1  0.484005  0.928662  0.379122  1
  Ni  Ni137  1  0.637897  0.235992  0.408860  1
  Ni  Ni138  1  0.791725  0.543631  0.438661  1
  Ni  Ni139  1  0.984044  0.928640  0.379127  1
  Ni  Ni140  1  0.137689  0.235994  0.408865  1
  Ni  Ni141  1  0.291628  0.543623  0.438663  1
  Ni  Ni142  1  0.906368  0.774849  0.363227  1
  Ni  Ni143  1  0.060630  0.081846  0.394190  1
  Ni  Ni144  1  0.214743  0.390146  0.423411  1
  Ni  Ni145  1  0.868446  0.697124  0.454103  1
  Ni  Ni146  1  0.022139  0.004533  0.484597  1
  Ni  Ni147  1  0.176450  0.312755  0.514686  1
  Ni  Ni148  1  0.945105  0.850580  0.469381  1
  Ni  Ni149  1  0.099444  0.158692  0.499535  1
  Ni  Ni150  1  0.253293  0.466420  0.529849  1
  Ni  Ni151  1  0.445336  0.850574  0.469387  1
  Ni  Ni152  1  0.599274  0.158687  0.499543  1
  Ni  Ni153  1  0.753314  0.466418  0.529859  1
  Ni  Ni154  1  0.368456  0.697129  0.454094  1
  Ni  Ni155  1  0.522341  0.004538  0.484589  1
  Ni  Ni156  1  0.676416  0.312763  0.514678  1
  Ni  Ni157  1  0.330042  0.619710  0.545176  1
  Ni  Ni158  1  0.483619  0.926894  0.575533  1
  Ni  Ni159  1  0.638188  0.235470  0.604633  1
  Ni  Ni160  1  0.406641  0.773106  0.560505  1
  Ni  Ni161  1  0.560942  0.081217  0.590086  1
  Ni  Ni162  1  0.714345  0.389019  0.620635  1
  Ni  Ni163  1  0.906756  0.773090  0.560515  1
  Ni  Ni164  1  0.060730  0.081212  0.590097  1
  Ni  Ni165  1  0.215350  0.388991  0.620644  1
  Ni  Ni166  1  0.829917  0.619718  0.545173  1
  Ni  Ni167  1  0.983651  0.926896  0.575531  1
  Ni  Ni168  1  0.137836  0.235477  0.604630  1
  Ni  Ni169  1  0.789064  0.542205  0.637087  1
  Ni  Ni170  1  0.943989  0.848409  0.666635  1
  Ni  Ni171  1  0.096769  0.153542  0.696236  1
  Ni  Ni172  1  0.868564  0.694324  0.652516  1
  Ni  Ni173  1  0.020479  0.003798  0.680206  1
  Ni  Ni174  1  0.172200  0.305734  0.710137  1
  Ni  Ni175  1  0.366572  0.694339  0.652512  1
  Ni  Ni176  1  0.524213  0.003804  0.680205  1
  Ni  Ni177  1  0.674910  0.305670  0.710141  1
  Ni  Ni178  1  0.293985  0.542233  0.637062  1
  Ni  Ni179  1  0.445169  0.848421  0.666632  1
  Ni  Ni180  1  0.597912  0.153548  0.696205  1
