# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81049774
_cell_length_b   13.62269738
_cell_length_c   48.92578653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr84 Ni84'
_cell_volume   6538.70836165
_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  0.640350  0.255517  0.303959  1
  Zr  Zr2  1  0.638370  0.634189  0.284636  1
  Zr  Zr3  1  0.639286  0.875144  0.322967  1
  Zr  Zr4  1  0.860005  0.066125  0.314061  1
  Zr  Zr5  1  0.860710  0.445253  0.293682  1
  Zr  Zr6  1  0.864176  0.688118  0.333296  1
  Zr  Zr7  1  0.137780  0.188076  0.333165  1
  Zr  Zr8  1  0.139440  0.567338  0.313539  1
  Zr  Zr9  1  0.138196  0.945008  0.294618  1
  Zr  Zr10  1  0.363792  0.999307  0.343305  1
  Zr  Zr11  1  0.363763  0.378950  0.323754  1
  Zr  Zr12  1  0.360071  0.756613  0.303677  1
  Zr  Zr13  1  0.638093  0.118266  0.363892  1
  Zr  Zr14  1  0.638055  0.497723  0.343309  1
  Zr  Zr15  1  0.638719  0.738451  0.385015  1
  Zr  Zr16  1  0.863761  0.927355  0.373780  1
  Zr  Zr17  1  0.864058  0.307832  0.353418  1
  Zr  Zr18  1  0.863160  0.547739  0.395518  1
  Zr  Zr19  1  0.138727  0.048168  0.395221  1
  Zr  Zr20  1  0.138124  0.427119  0.373931  1
  Zr  Zr21  1  0.138242  0.808471  0.353513  1
  Zr  Zr22  1  0.362999  0.858590  0.406018  1
  Zr  Zr23  1  0.363139  0.236864  0.384106  1
  Zr  Zr24  1  0.364208  0.617499  0.363576  1
  Zr  Zr25  1  0.639350  0.978485  0.426612  1
  Zr  Zr26  1  0.638849  0.357719  0.405826  1
  Zr  Zr27  1  0.639062  0.599565  0.447893  1
  Zr  Zr28  1  0.863028  0.789215  0.437377  1
  Zr  Zr29  1  0.862833  0.168566  0.416442  1
  Zr  Zr30  1  0.863045  0.409664  0.458206  1
  Zr  Zr31  1  0.139015  0.909831  0.458278  1
  Zr  Zr32  1  0.139355  0.288929  0.437131  1
  Zr  Zr33  1  0.139378  0.668595  0.416356  1
  Zr  Zr34  1  0.363091  0.719950  0.468656  1
  Zr  Zr35  1  0.363071  0.099308  0.447649  1
  Zr  Zr36  1  0.362625  0.478869  0.426822  1
  Zr  Zr37  1  0.638777  0.840235  0.489482  1
  Zr  Zr38  1  0.638899  0.220039  0.468685  1
  Zr  Zr39  1  0.638862  0.460612  0.510416  1
  Zr  Zr40  1  0.863271  0.650478  0.500030  1
  Zr  Zr41  1  0.863038  0.030014  0.478974  1
  Zr  Zr42  1  0.863268  0.270838  0.520813  1
  Zr  Zr43  1  0.139020  0.770877  0.520887  1
  Zr  Zr44  1  0.138787  0.150413  0.499831  1
  Zr  Zr45  1  0.138790  0.530053  0.479048  1
  Zr  Zr46  1  0.363159  0.580852  0.531177  1
  Zr  Zr47  1  0.363281  0.960656  0.510380  1
  Zr  Zr48  1  0.363196  0.340279  0.489445  1
  Zr  Zr49  1  0.638987  0.701583  0.552212  1
  Zr  Zr50  1  0.638967  0.080942  0.531205  1
  Zr  Zr51  1  0.639433  0.322022  0.573040  1
  Zr  Zr52  1  0.862703  0.511962  0.562730  1
  Zr  Zr53  1  0.863043  0.891060  0.541583  1
  Zr  Zr54  1  0.862680  0.132296  0.583506  1
  Zr  Zr55  1  0.139225  0.632325  0.583419  1
  Zr  Zr56  1  0.139030  0.011676  0.562484  1
  Zr  Zr57  1  0.139013  0.391228  0.541655  1
  Zr  Zr58  1  0.363209  0.443172  0.594035  1
  Zr  Zr59  1  0.362708  0.822406  0.573249  1
  Zr  Zr60  1  0.362996  0.201327  0.551968  1
  Zr  Zr61  1  0.638919  0.564027  0.615756  1
  Zr  Zr62  1  0.639059  0.942301  0.593843  1
  Zr  Zr63  1  0.637850  0.183392  0.636285  1
  Zr  Zr64  1  0.863934  0.373772  0.625930  1
  Zr  Zr65  1  0.863330  0.752723  0.604640  1
  Zr  Zr66  1  0.863816  0.992420  0.646349  1
  Zr  Zr67  1  0.138000  0.493059  0.646443  1
  Zr  Zr68  1  0.138296  0.873536  0.626082  1
  Zr  Zr69  1  0.138898  0.253152  0.604343  1
  Zr  Zr70  1  0.364003  0.303169  0.656552  1
  Zr  Zr71  1  0.363965  0.682625  0.635969  1
  Zr  Zr72  1  0.363339  0.062440  0.614847  1
  Zr  Zr73  1  0.638295  0.421941  0.676108  1
  Zr  Zr74  1  0.638266  0.801584  0.656557  1
  Zr  Zr75  1  0.641987  0.044278  0.696184  1
  Zr  Zr76  1  0.862618  0.233553  0.686323  1
  Zr  Zr77  1  0.864278  0.612816  0.666697  1
  Zr  Zr78  1  0.863862  0.855883  0.705243  1
  Zr  Zr79  1  0.141348  0.355638  0.706179  1
  Zr  Zr80  1  0.142053  0.734766  0.685801  1
  Zr  Zr81  1  0.137882  0.112773  0.666565  1
  Zr  Zr82  1  0.363688  0.166702  0.715226  1
  Zr  Zr83  1  0.361708  0.545374  0.695902  1
  Zr  Zr84  1  0.362772  0.925747  0.676895  1
  Ni  Ni85  1  0.921570  0.251988  0.301441  1
  Ni  Ni86  1  0.920290  0.630138  0.281796  1
  Ni  Ni87  1  0.921219  0.875956  0.321457  1
  Ni  Ni88  1  0.580883  0.063848  0.311960  1
  Ni  Ni89  1  0.579804  0.441669  0.291280  1
  Ni  Ni90  1  0.579286  0.687454  0.333205  1
  Ni  Ni91  1  0.419796  0.187090  0.331354  1
  Ni  Ni92  1  0.420873  0.565122  0.311294  1
  Ni  Ni93  1  0.419642  0.941943  0.291790  1
  Ni  Ni94  1  0.079320  0.998562  0.343185  1
  Ni  Ni95  1  0.081908  0.375376  0.321430  1
  Ni  Ni96  1  0.080959  0.754394  0.301331  1
  Ni  Ni97  1  0.922400  0.118909  0.364128  1
  Ni  Ni98  1  0.923874  0.498821  0.342717  1
  Ni  Ni99  1  0.921397  0.738012  0.385537  1
  Ni  Ni100  1  0.581025  0.928883  0.374228  1
  Ni  Ni101  1  0.577579  0.307483  0.353375  1
  Ni  Ni102  1  0.580573  0.548034  0.396055  1
  Ni  Ni103  1  0.421425  0.047924  0.395679  1
  Ni  Ni104  1  0.420806  0.427826  0.374986  1
  Ni  Ni105  1  0.422115  0.810297  0.353427  1
  Ni  Ni106  1  0.080652  0.858270  0.406339  1
  Ni  Ni107  1  0.081292  0.238098  0.384997  1
  Ni  Ni108  1  0.080901  0.618500  0.364340  1
  Ni  Ni109  1  0.921488  0.978672  0.426675  1
  Ni  Ni110  1  0.921610  0.357814  0.406250  1
  Ni  Ni111  1  0.921867  0.599421  0.447646  1
  Ni  Ni112  1  0.580329  0.789000  0.437290  1
  Ni  Ni113  1  0.580338  0.168254  0.416640  1
  Ni  Ni114  1  0.580141  0.409570  0.457976  1
  Ni  Ni115  1  0.421774  0.909743  0.458081  1
  Ni  Ni116  1  0.421355  0.288999  0.436979  1
  Ni  Ni117  1  0.421482  0.668512  0.416461  1
  Ni  Ni118  1  0.080451  0.719952  0.468548  1
  Ni  Ni119  1  0.080286  0.099211  0.447549  1
  Ni  Ni120  1  0.080502  0.478674  0.426711  1
  Ni  Ni121  1  0.921695  0.840236  0.489468  1
  Ni  Ni122  1  0.921812  0.219910  0.468487  1
  Ni  Ni123  1  0.921612  0.460601  0.510468  1
  Ni  Ni124  1  0.580358  0.650526  0.500036  1
  Ni  Ni125  1  0.580488  0.030102  0.478864  1
  Ni  Ni126  1  0.580349  0.270815  0.520892  1
  Ni  Ni127  1  0.421570  0.770789  0.520997  1
  Ni  Ni128  1  0.421700  0.150366  0.499825  1
  Ni  Ni129  1  0.421709  0.530076  0.478969  1
  Ni  Ni130  1  0.080246  0.580982  0.531374  1
  Ni  Ni131  1  0.080363  0.960655  0.510394  1
  Ni  Ni132  1  0.080446  0.340291  0.489393  1
  Ni  Ni133  1  0.921772  0.701680  0.552312  1
  Ni  Ni134  1  0.921607  0.080939  0.531313  1
  Ni  Ni135  1  0.921556  0.322217  0.573150  1
  Ni  Ni136  1  0.580703  0.511892  0.562882  1
  Ni  Ni137  1  0.580284  0.891148  0.541780  1
  Ni  Ni138  1  0.580576  0.132379  0.583400  1
  Ni  Ni139  1  0.421720  0.632638  0.583221  1
  Ni  Ni140  1  0.421729  0.011891  0.562572  1
  Ni  Ni141  1  0.421917  0.391321  0.541886  1
  Ni  Ni142  1  0.080448  0.443077  0.593611  1
  Ni  Ni143  1  0.080570  0.822219  0.573186  1
  Ni  Ni144  1  0.080191  0.201470  0.552215  1
  Ni  Ni145  1  0.920766  0.562793  0.614865  1
  Ni  Ni146  1  0.921406  0.942621  0.593522  1
  Ni  Ni147  1  0.921157  0.182391  0.635521  1
  Ni  Ni148  1  0.581252  0.373065  0.624876  1
  Ni  Ni149  1  0.580633  0.752967  0.604182  1
  Ni  Ni150  1  0.579943  0.990594  0.646434  1
  Ni  Ni151  1  0.424479  0.493408  0.646486  1
  Ni  Ni152  1  0.421033  0.872008  0.625634  1
  Ni  Ni153  1  0.421485  0.252857  0.603806  1
  Ni  Ni154  1  0.078184  0.302070  0.657145  1
  Ni  Ni155  1  0.079658  0.681982  0.635733  1
  Ni  Ni156  1  0.080661  0.062879  0.614324  1
  Ni  Ni157  1  0.920150  0.425515  0.678432  1
  Ni  Ni158  1  0.922738  0.802329  0.656676  1
  Ni  Ni159  1  0.921099  0.046497  0.698530  1
  Ni  Ni160  1  0.581185  0.235769  0.688567  1
  Ni  Ni161  1  0.582262  0.613801  0.668508  1
  Ni  Ni162  1  0.582416  0.858948  0.708071  1
  Ni  Ni163  1  0.422254  0.359222  0.708581  1
  Ni  Ni164  1  0.421175  0.737043  0.687902  1
  Ni  Ni165  1  0.422772  0.113438  0.666657  1
  Ni  Ni166  1  0.081768  0.170753  0.718065  1
  Ni  Ni167  1  0.080488  0.548903  0.698420  1
  Ni  Ni168  1  0.080839  0.924935  0.678404  1
