# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62006609
_cell_length_b   20.13497627
_cell_length_c   45.51675314
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.88311319
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6958.28102387
_cell_formula_units_Z   8
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  0.013714  0.761846  0.368431  1
  Zr  Zr2  1  0.376030  0.161920  0.314957  1
  Zr  Zr3  1  0.259681  0.986906  0.358445  1
  Zr  Zr4  1  0.624750  0.386454  0.304736  1
  Zr  Zr5  1  0.763694  0.082362  0.368304  1
  Zr  Zr6  1  0.141920  0.483992  0.312978  1
  Zr  Zr7  1  0.504738  0.665327  0.359084  1
  Zr  Zr8  1  0.892966  0.067028  0.304085  1
  Zr  Zr9  1  0.509326  0.708758  0.286733  1
  Zr  Zr10  1  0.111980  0.314028  0.338159  1
  Zr  Zr11  1  0.534041  0.834562  0.334696  1
  Zr  Zr12  1  0.137341  0.435076  0.389782  1
  Zr  Zr13  1  0.999223  0.639359  0.317072  1
  Zr  Zr14  1  0.600980  0.235699  0.373897  1
  Zr  Zr15  1  0.050527  0.911267  0.299062  1
  Zr  Zr16  1  0.652783  0.509992  0.355796  1
  Zr  Zr17  1  0.237899  0.955268  0.481074  1
  Zr  Zr18  1  0.615151  0.357339  0.425801  1
  Zr  Zr19  1  0.487585  0.180053  0.469684  1
  Zr  Zr20  1  0.866382  0.582633  0.414446  1
  Zr  Zr21  1  0.993013  0.276741  0.480283  1
  Zr  Zr22  1  0.373327  0.679120  0.424994  1
  Zr  Zr23  1  0.731278  0.859023  0.470400  1
  Zr  Zr24  1  0.109710  0.261057  0.414701  1
  Zr  Zr25  1  0.736890  0.909254  0.394874  1
  Zr  Zr26  1  0.344252  0.507263  0.450511  1
  Zr  Zr27  1  0.760482  0.031512  0.444851  1
  Zr  Zr28  1  0.371718  0.629351  0.501059  1
  Zr  Zr29  1  0.223690  0.833064  0.429281  1
  Zr  Zr30  1  0.833181  0.430785  0.485480  1
  Zr  Zr31  1  0.269587  0.108144  0.409365  1
  Zr  Zr32  1  0.883473  0.705158  0.465661  1
  Zr  Zr33  1  0.469776  0.150122  0.592534  1
  Zr  Zr34  1  0.848573  0.552702  0.537296  1
  Zr  Zr35  1  0.721007  0.375416  0.581179  1
  Zr  Zr36  1  0.098259  0.777487  0.525905  1
  Zr  Zr37  1  0.226448  0.471699  0.592279  1
  Zr  Zr38  1  0.604880  0.873732  0.536580  1
  Zr  Zr39  1  0.962832  0.053635  0.581986  1
  Zr  Zr40  1  0.343145  0.456014  0.526696  1
  Zr  Zr41  1  0.964440  0.103404  0.505921  1
  Zr  Zr42  1  0.575676  0.701243  0.562129  1
  Zr  Zr43  1  0.991906  0.225492  0.556469  1
  Zr  Zr44  1  0.599269  0.823501  0.612106  1
  Zr  Zr45  1  0.452686  0.027597  0.541319  1
  Zr  Zr46  1  0.066571  0.624611  0.597615  1
  Zr  Zr47  1  0.502978  0.301970  0.521499  1
  Zr  Zr48  1  0.112469  0.899691  0.577699  1
  Zr  Zr49  1  0.711408  0.346301  0.702244  1
  Zr  Zr50  1  0.076478  0.745849  0.648534  1
  Zr  Zr51  1  0.960128  0.570835  0.692023  1
  Zr  Zr52  1  0.322444  0.970910  0.638549  1
  Zr  Zr53  1  0.443192  0.665727  0.702894  1
  Zr  Zr54  1  0.831420  0.067428  0.647896  1
  Zr  Zr55  1  0.194238  0.248763  0.694002  1
  Zr  Zr56  1  0.572464  0.650393  0.638675  1
  Zr  Zr57  1  0.198818  0.297680  0.617197  1
  Zr  Zr58  1  0.802117  0.898193  0.672284  1
  Zr  Zr59  1  0.224178  0.418727  0.668821  1
  Zr  Zr60  1  0.826832  0.023997  0.720246  1
  Zr  Zr61  1  0.683375  0.222763  0.651183  1
  Zr  Zr62  1  0.285631  0.821488  0.707918  1
  Zr  Zr63  1  0.735178  0.497056  0.633082  1
  Zr  Zr64  1  0.336936  0.093396  0.689908  1
  Ni  Ni65  1  0.025416  0.779238  0.305162  1
  Ni  Ni66  1  0.627714  0.373404  0.364232  1
  Ni  Ni67  1  0.752096  0.732748  0.327160  1
  Ni  Ni68  1  0.344966  0.329398  0.384350  1
  Ni  Ni69  1  0.329140  0.822881  0.288252  1
  Ni  Ni70  1  0.905128  0.417178  0.343398  1
  Ni  Ni71  1  0.826373  0.641676  0.365502  1
  Ni  Ni72  1  0.213505  0.039408  0.309240  1
  Ni  Ni73  1  0.445627  0.107481  0.362049  1
  Ni  Ni74  1  0.822469  0.508260  0.306611  1
  Ni  Ni75  1  0.685681  0.780849  0.377651  1
  Ni  Ni76  1  0.041238  0.187413  0.319495  1
  Ni  Ni77  1  0.595839  0.964576  0.350691  1
  Ni  Ni78  1  0.956517  0.366929  0.292948  1
  Ni  Ni79  1  0.347936  0.769430  0.380700  1
  Ni  Ni80  1  0.711428  0.168834  0.325702  1
  Ni  Ni81  1  0.275798  0.731121  0.327861  1
  Ni  Ni82  1  0.887816  0.328750  0.384707  1
  Ni  Ni83  1  0.737121  0.823413  0.287852  1
  Ni  Ni84  1  0.362569  0.417678  0.344211  1
  Ni  Ni85  1  0.719651  0.941758  0.303495  1
  Ni  Ni86  1  0.325377  0.538651  0.357853  1
  Ni  Ni87  1  0.323666  0.608530  0.314954  1
  Ni  Ni88  1  0.926669  0.208081  0.368451  1
  Ni  Ni89  1  0.392595  0.937652  0.307642  1
  Ni  Ni90  1  0.995229  0.538663  0.358794  1
  Ni  Ni91  1  0.659213  0.609822  0.315519  1
  Ni  Ni92  1  0.255100  0.209621  0.365849  1
  Ni  Ni93  1  0.169188  0.648752  0.369541  1
  Ni  Ni94  1  0.550903  0.050960  0.316909  1
  Ni  Ni95  1  0.096422  0.098774  0.355140  1
  Ni  Ni96  1  0.474786  0.501879  0.305958  1
  Ni  Ni97  1  0.211862  0.854807  0.340855  1
  Ni  Ni98  1  0.597287  0.256369  0.290530  1
  Ni  Ni99  1  0.056294  0.891917  0.385408  1
  Ni  Ni100  1  0.435865  0.294385  0.331845  1
  Ni  Ni101  1  0.868800  0.857162  0.339964  1
  Ni  Ni102  1  0.263288  0.263791  0.288551  1
  Ni  Ni103  1  0.400431  0.890454  0.386348  1
  Ni  Ni104  1  0.783154  0.292402  0.331710  1
  Ni  Ni105  1  0.926587  0.977861  0.345502  1
  Ni  Ni106  1  0.297329  0.382513  0.292980  1
  Ni  Ni107  1  0.246830  0.970520  0.419630  1
  Ni  Ni108  1  0.858107  0.567951  0.475916  1
  Ni  Ni109  1  0.969589  0.926706  0.439434  1
  Ni  Ni110  1  0.578922  0.524340  0.495737  1
  Ni  Ni111  1  0.526740  0.014659  0.399820  1
  Ni  Ni112  1  0.136223  0.611888  0.455900  1
  Ni  Ni113  1  0.049293  0.835616  0.477516  1
  Ni  Ni114  1  0.427666  0.237254  0.421570  1
  Ni  Ni115  1  0.674885  0.300690  0.473945  1
  Ni  Ni116  1  0.055347  0.701885  0.416779  1
  Ni  Ni117  1  0.907042  0.975288  0.489434  1
  Ni  Ni118  1  0.281985  0.377865  0.434143  1
  Ni  Ni119  1  0.820471  0.159812  0.461318  1
  Ni  Ni120  1  0.192512  0.563249  0.405635  1
  Ni  Ni121  1  0.575867  0.964212  0.492609  1
  Ni  Ni122  1  0.952026  0.366728  0.437113  1
  Ni  Ni123  1  0.507237  0.925910  0.440205  1
  Ni  Ni124  1  0.119128  0.523790  0.496561  1
  Ni  Ni125  1  0.986601  0.015320  0.398546  1
  Ni  Ni126  1  0.598397  0.612736  0.455206  1
  Ni  Ni127  1  0.943150  0.136276  0.413222  1
  Ni  Ni128  1  0.557051  0.733767  0.469528  1
  Ni  Ni129  1  0.550426  0.804793  0.425080  1
  Ni  Ni130  1  0.158520  0.403076  0.481745  1
  Ni  Ni131  1  0.612991  0.134625  0.416442  1
  Ni  Ni132  1  0.226235  0.732436  0.472280  1
  Ni  Ni133  1  0.882142  0.805674  0.423006  1
  Ni  Ni134  1  0.489977  0.403582  0.479031  1
  Ni  Ni135  1  0.397377  0.843759  0.482197  1
  Ni  Ni136  1  0.777197  0.246144  0.426617  1
  Ni  Ni137  1  0.325637  0.291991  0.468969  1
  Ni  Ni138  1  0.708290  0.694217  0.413119  1
  Ni  Ni139  1  0.438252  0.049330  0.453247  1
  Ni  Ni140  1  0.819262  0.451451  0.398384  1
  Ni  Ni141  1  0.285974  0.085784  0.497481  1
  Ni  Ni142  1  0.665553  0.489212  0.442044  1
  Ni  Ni143  1  0.094131  0.050879  0.452543  1
  Ni  Ni144  1  0.472193  0.452605  0.397928  1
  Ni  Ni145  1  0.630367  0.084520  0.498004  1
  Ni  Ni146  1  0.010989  0.487522  0.443018  1
  Ni  Ni147  1  0.150734  0.171238  0.458072  1
  Ni  Ni148  1  0.523861  0.573422  0.403393  1
  Ni  Ni149  1  0.478051  0.164804  0.531063  1
  Ni  Ni150  1  0.089328  0.762235  0.587350  1
  Ni  Ni151  1  0.199935  0.120867  0.551080  1
  Ni  Ni152  1  0.809418  0.718096  0.607159  1
  Ni  Ni153  1  0.757237  0.208415  0.511243  1
  Ni  Ni154  1  0.366570  0.806049  0.567546  1
  Ni  Ni155  1  0.280811  0.030870  0.590201  1
  Ni  Ni156  1  0.661273  0.432065  0.533035  1
  Ni  Ni157  1  0.908492  0.495501  0.585410  1
  Ni  Ni158  1  0.286865  0.897140  0.529463  1
  Ni  Ni159  1  0.143647  0.169506  0.601344  1
  Ni  Ni160  1  0.515687  0.572943  0.545662  1
  Ni  Ni161  1  0.054174  0.354890  0.572837  1
  Ni  Ni162  1  0.429116  0.757467  0.517546  1
  Ni  Ni163  1  0.812298  0.159333  0.603587  1
  Ni  Ni164  1  0.185424  0.561517  0.548908  1
  Ni  Ni165  1  0.737762  0.120019  0.551774  1
  Ni  Ni166  1  0.349558  0.717435  0.608434  1
  Ni  Ni167  1  0.217030  0.208965  0.510419  1
  Ni  Ni168  1  0.828921  0.806845  0.566775  1
  Ni  Ni169  1  0.177638  0.329679  0.525234  1
  Ni  Ni170  1  0.785732  0.927962  0.581899  1
  Ni  Ni171  1  0.779108  -0.001012  0.537452  1
  Ni  Ni172  1  0.393008  0.596479  0.593757  1
  Ni  Ni173  1  0.846182  0.329173  0.527949  1
  Ni  Ni174  1  0.454017  0.927081  0.583973  1
  Ni  Ni175  1  0.109923  0.000319  0.534700  1
  Ni  Ni176  1  0.723168  0.598130  0.590538  1
  Ni  Ni177  1  0.627869  0.038538  0.593861  1
  Ni  Ni178  1  0.010522  0.440764  0.538011  1
  Ni  Ni179  1  0.558962  0.486611  0.580363  1
  Ni  Ni180  1  0.938781  0.888996  0.524783  1
  Ni  Ni181  1  0.670606  0.243543  0.564935  1
  Ni  Ni182  1  0.050185  0.646971  0.509498  1
  Ni  Ni183  1  0.516896  0.281305  0.608595  1
  Ni  Ni184  1  0.897906  0.683425  0.553733  1
  Ni  Ni185  1  0.325170  0.245233  0.563961  1
  Ni  Ni186  1  0.705792  0.648235  0.508976  1
  Ni  Ni187  1  0.863966  0.280150  0.609051  1
  Ni  Ni188  1  0.242027  0.681876  0.554437  1
  Ni  Ni189  1  0.384133  0.366027  0.569866  1
  Ni  Ni190  1  0.760291  0.768543  0.514371  1
  Ni  Ni191  1  0.708444  0.359351  0.642748  1
  Ni  Ni192  1  0.310743  0.953517  0.701817  1
  Ni  Ni193  1  0.431031  0.315577  0.663582  1
  Ni  Ni194  1  0.007019  0.909874  0.718728  1
  Ni  Ni195  1  0.991193  0.403357  0.622629  1
  Ni  Ni196  1  0.584062  0.000008  0.679819  1
  Ni  Ni197  1  0.513689  0.224495  0.700369  1
  Ni  Ni198  1  0.890531  0.625274  0.644931  1
  Ni  Ni199  1  0.122654  0.693347  0.697740  1
  Ni  Ni200  1  0.509786  0.091079  0.641477  1
  Ni  Ni201  1  0.379641  0.365826  0.714032  1
  Ni  Ni202  1  0.740320  0.768180  0.656288  1
  Ni  Ni203  1  0.294921  0.545342  0.687485  1
  Ni  Ni204  1  0.650478  0.951906  0.629329  1
  Ni  Ni205  1  0.038830  0.350242  0.714000  1
  Ni  Ni206  1  0.409571  0.754894  0.661478  1
  Ni  Ni207  1  0.973590  0.315077  0.662769  1
  Ni  Ni208  1  0.599037  0.909342  0.719128  1
  Ni  Ni209  1  0.448342  0.404005  0.622272  1
  Ni  Ni210  1  0.060360  0.001634  0.679119  1
  Ni  Ni211  1  0.409489  0.524674  0.638529  1
  Ni  Ni212  1  0.012492  0.124225  0.692026  1
  Ni  Ni213  1  0.010782  0.194104  0.649126  1
  Ni  Ni214  1  0.616508  0.790997  0.703484  1
  Ni  Ni215  1  0.081059  0.523134  0.641131  1
  Ni  Ni216  1  0.676946  0.122933  0.691460  1
  Ni  Ni217  1  0.340930  0.194092  0.648185  1
  Ni  Ni218  1  0.943563  0.795103  0.699338  1
  Ni  Ni219  1  0.861373  0.230876  0.701022  1
  Ni  Ni220  1  0.239736  0.633981  0.651840  1
  Ni  Ni221  1  0.785256  0.681795  0.690070  1
  Ni  Ni222  1  0.166970  0.084003  0.637439  1
  Ni  Ni223  1  0.900293  0.438370  0.675134  1
  Ni  Ni224  1  0.279864  0.840838  0.621572  1
  Ni  Ni225  1  0.738871  0.476386  0.716450  1
  Ni  Ni226  1  0.124296  0.877948  0.666125  1
  Ni  Ni227  1  0.553005  0.440353  0.675270  1
  Ni  Ni228  1  0.935728  0.842301  0.620632  1
  Ni  Ni229  1  0.072870  0.468964  0.718429  1
  Ni  Ni230  1  0.467359  0.875593  0.667016  1
  Ni  Ni231  1  0.624730  0.563921  0.681278  1
  Ni  Ni232  1  0.988222  0.963325  0.626280  1
