# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.78674108
_cell_length_b   11.35183347
_cell_length_c   49.12372131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.66590409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7100.55000671
_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  0.491122  0.420188  0.321734  1
  Zr  Zr2  1  0.895702  0.590110  0.385510  1
  Zr  Zr3  1  0.837554  0.873784  0.303109  1
  Zr  Zr4  1  0.261769  0.963912  0.345911  1
  Zr  Zr5  1  0.498880  0.039664  0.297394  1
  Zr  Zr6  1  0.907226  0.204720  0.364226  1
  Zr  Zr7  1  0.812707  0.242322  0.322073  1
  Zr  Zr8  1  0.250240  0.350575  0.366820  1
  Zr  Zr9  1  0.662759  0.772221  0.378667  1
  Zr  Zr10  1  0.251435  0.592677  0.313121  1
  Zr  Zr11  1  0.497115  0.782508  0.352448  1
  Zr  Zr12  1  0.071603  0.679901  0.308515  1
  Zr  Zr13  1  0.670859  0.427469  0.345772  1
  Zr  Zr14  1  0.274234  0.269820  0.282508  1
  Zr  Zr15  1  0.487688  0.127936  0.384914  1
  Zr  Zr16  1  0.054656  0.027541  0.339346  1
  Zr  Zr17  1  0.320855  0.683108  0.429208  1
  Zr  Zr18  1  0.725188  0.857163  0.494136  1
  Zr  Zr19  1  0.664017  0.135987  0.409985  1
  Zr  Zr20  1  0.089180  0.227080  0.453717  1
  Zr  Zr21  1  0.341500  0.304110  0.407529  1
  Zr  Zr22  1  0.736613  0.472733  0.471565  1
  Zr  Zr23  1  0.644038  0.517333  0.431328  1
  Zr  Zr24  1  0.077721  0.612612  0.476232  1
  Zr  Zr25  1  0.488274  0.033771  0.486498  1
  Zr  Zr26  1  0.089571  0.871882  0.422103  1
  Zr  Zr27  1  0.326004  0.050396  0.461268  1
  Zr  Zr28  1  0.894348  0.945387  0.416640  1
  Zr  Zr29  1  0.498521  0.691613  0.454616  1
  Zr  Zr30  1  0.101853  0.526397  0.390432  1
  Zr  Zr31  1  0.316023  0.393103  0.493353  1
  Zr  Zr32  1  0.882451  0.292736  0.448949  1
  Zr  Zr33  1  0.150110  0.948176  0.538037  1
  Zr  Zr34  1  0.555567  0.121923  0.602887  1
  Zr  Zr35  1  0.493891  0.401726  0.518679  1
  Zr  Zr36  1  0.919034  0.493803  0.562513  1
  Zr  Zr37  1  0.170869  0.568315  0.516226  1
  Zr  Zr38  1  0.565315  0.735663  0.580522  1
  Zr  Zr39  1  0.472615  0.780447  0.540535  1
  Zr  Zr40  1  0.907788  0.879197  0.585123  1
  Zr  Zr41  1  0.318063  0.300137  0.595132  1
  Zr  Zr42  1  0.919628  0.138629  0.531027  1
  Zr  Zr43  1  0.154995  0.316305  0.570039  1
  Zr  Zr44  1  0.724758  0.212580  0.525875  1
  Zr  Zr45  1  0.328460  0.956357  0.563228  1
  Zr  Zr46  1  0.932094  0.792210  0.499168  1
  Zr  Zr47  1  0.145447  0.658761  0.601705  1
  Zr  Zr48  1  0.712040  0.558055  0.557650  1
  Zr  Zr49  1  0.977230  0.214061  0.647162  1
  Zr  Zr50  1  0.383933  0.390431  0.709039  1
  Zr  Zr51  1  0.323018  0.666723  0.627181  1
  Zr  Zr52  1  0.746826  0.759229  0.670873  1
  Zr  Zr53  1  0.995711  0.828473  0.626402  1
  Zr  Zr54  1  0.398233  0.011882  0.691221  1
  Zr  Zr55  1  0.302505  0.045888  0.647858  1
  Zr  Zr56  1  0.741934  0.130623  0.696519  1
  Zr  Zr57  1  0.145677  0.567199  0.701694  1
  Zr  Zr58  1  0.746626  0.406872  0.639885  1
  Zr  Zr59  1  0.984764  0.592523  0.677533  1
  Zr  Zr60  1  0.555043  0.474915  0.635004  1
  Zr  Zr61  1  0.158563  0.217493  0.671696  1
  Zr  Zr62  1  0.759117  0.057138  0.607875  1
  Zr  Zr63  1  0.975601  0.930942  0.709663  1
  Zr  Zr64  1  0.540771  0.824021  0.665400  1
  Ni  Ni65  1  0.865493  0.728557  0.342495  1
  Ni  Ni66  1  0.466439  0.562493  0.278378  1
  Ni  Ni67  1  0.767233  0.670411  0.385138  1
  Ni  Ni68  1  0.370019  0.506790  0.321914  1
  Ni  Ni69  1  0.388774  0.877608  0.342314  1
  Ni  Ni70  1  0.962859  0.787436  0.298907  1
  Ni  Ni71  1  0.686813  0.390434  0.399165  1
  Ni  Ni72  1  0.283041  0.218936  0.333088  1
  Ni  Ni73  1  0.472634  0.166409  0.332725  1
  Ni  Ni74  1  0.053707  0.072053  0.287800  1
  Ni  Ni75  1  0.465795  0.522331  0.364274  1
  Ni  Ni76  1  0.029463  0.420179  0.318911  1
  Ni  Ni77  1  0.692739  0.037634  0.366268  1
  Ni  Ni78  1  0.288449  0.862364  0.302560  1
  Ni  Ni79  1  0.571127  0.336052  0.291224  1
  Ni  Ni80  1  0.978207  0.508677  0.354565  1
  Ni  Ni81  1  0.871020  0.527613  0.324587  1
  Ni  Ni82  1  0.296325  0.625022  0.368445  1
  Ni  Ni83  1  0.451539  0.759559  0.298199  1
  Ni  Ni84  1  0.861211  0.928090  0.359782  1
  Ni  Ni85  1  0.628602  0.990125  0.314284  1
  Ni  Ni86  1  0.036971  0.160753  0.379822  1
  Ni  Ni87  1  0.687923  0.286544  0.308845  1
  Ni  Ni88  1  0.118003  0.390210  0.352505  1
  Ni  Ni89  1  0.584569  0.097712  0.347988  1
  Ni  Ni90  1  0.158297  0.984167  0.304777  1
  Ni  Ni91  1  0.568937  0.452589  0.381596  1
  Ni  Ni92  1  0.171647  0.302697  0.316475  1
  Ni  Ni93  1  0.758890  0.311958  0.362487  1
  Ni  Ni94  1  0.358072  0.135632  0.297808  1
  Ni  Ni95  1  0.396691  0.239711  0.367304  1
  Ni  Ni96  1  0.977133  0.159946  0.322516  1
  Ni  Ni97  1  0.642449  0.619604  0.287900  1
  Ni  Ni98  1  0.038281  0.788014  0.346816  1
  Ni  Ni99  1  0.691478  0.670195  0.337297  1
  Ni  Ni100  1  0.118558  0.762623  0.382753  1
  Ni  Ni101  1  0.576295  0.716504  0.317986  1
  Ni  Ni102  1  0.977840  0.879524  0.384729  1
  Ni  Ni103  1  0.759759  0.575617  0.300810  1
  Ni  Ni104  1  0.178502  0.672874  0.344968  1
  Ni  Ni105  1  0.748856  0.949208  0.331182  1
  Ni  Ni106  1  0.176219  0.042948  0.375094  1
  Ni  Ni107  1  0.692252  0.996177  0.452592  1
  Ni  Ni108  1  0.293605  0.824482  0.386484  1
  Ni  Ni109  1  0.594146  0.935721  0.494910  1
  Ni  Ni110  1  0.197728  0.772962  0.431498  1
  Ni  Ni111  1  0.220260  0.149149  0.453292  1
  Ni  Ni112  1  0.787204  0.047742  0.408193  1
  Ni  Ni113  1  0.515165  0.655813  0.508143  1
  Ni  Ni114  1  0.113779  0.486397  0.442900  1
  Ni  Ni115  1  0.299427  0.428937  0.439964  1
  Ni  Ni116  1  0.870556  0.333239  0.396374  1
  Ni  Ni117  1  0.292544  0.782799  0.472311  1
  Ni  Ni118  1  0.858605  0.686128  0.427265  1
  Ni  Ni119  1  0.521811  0.301551  0.475458  1
  Ni  Ni120  1  0.127189  0.132639  0.412004  1
  Ni  Ni121  1  0.405607  0.606869  0.399741  1
  Ni  Ni122  1  0.809050  0.777438  0.464070  1
  Ni  Ni123  1  0.697235  0.797925  0.434594  1
  Ni  Ni124  1  0.126285  0.891001  0.477982  1
  Ni  Ni125  1  0.287442  0.022206  0.405097  1
  Ni  Ni126  1  0.687979  0.194199  0.470071  1
  Ni  Ni127  1  0.465096  0.258920  0.423055  1
  Ni  Ni128  1  0.865254  0.428141  0.488386  1
  Ni  Ni129  1  0.519529  0.560530  0.416316  1
  Ni  Ni130  1  0.949041  0.657093  0.459623  1
  Ni  Ni131  1  0.416745  0.366985  0.457930  1
  Ni  Ni132  1  0.982430  0.251599  0.415700  1
  Ni  Ni133  1  0.397829  0.717432  0.490069  1
  Ni  Ni134  1  0.002946  0.567041  0.424202  1
  Ni  Ni135  1  0.587870  0.579846  0.472473  1
  Ni  Ni136  1  0.178140  0.396665  0.406656  1
  Ni  Ni137  1  0.226810  0.504353  0.475524  1
  Ni  Ni138  1  0.807082  0.422497  0.432562  1
  Ni  Ni139  1  0.465506  0.883105  0.393023  1
  Ni  Ni140  1  0.865882  0.055408  0.456658  1
  Ni  Ni141  1  0.518784  0.935124  0.445728  1
  Ni  Ni142  1  0.948801  0.029016  0.491505  1
  Ni  Ni143  1  0.400917  0.973529  0.428995  1
  Ni  Ni144  1  0.806724  0.146851  0.494228  1
  Ni  Ni145  1  0.583409  0.845137  0.410014  1
  Ni  Ni146  1  0.007580  0.938067  0.453807  1
  Ni  Ni147  1  0.578913  0.213190  0.439731  1
  Ni  Ni148  1  0.005736  0.307149  0.483782  1
  Ni  Ni149  1  0.522346  0.260109  0.560977  1
  Ni  Ni150  1  0.121721  0.088741  0.495630  1
  Ni  Ni151  1  0.424050  0.200809  0.603166  1
  Ni  Ni152  1  0.026649  0.038080  0.540382  1
  Ni  Ni153  1  0.048840  0.414862  0.562391  1
  Ni  Ni154  1  0.617167  0.311837  0.516143  1
  Ni  Ni155  1  0.347056  0.922531  0.616709  1
  Ni  Ni156  1  0.942214  0.751651  0.551573  1
  Ni  Ni157  1  0.128504  0.694642  0.548579  1
  Ni  Ni158  1  0.701760  0.599232  0.505165  1
  Ni  Ni159  1  0.120958  0.048041  0.580992  1
  Ni  Ni160  1  0.688107  0.951556  0.536173  1
  Ni  Ni161  1  0.350401  0.565680  0.584127  1
  Ni  Ni162  1  0.956267  0.398898  0.520591  1
  Ni  Ni163  1  0.235672  0.872046  0.508241  1
  Ni  Ni164  1  0.637981  0.042303  0.572425  1
  Ni  Ni165  1  0.526944  0.061889  0.542652  1
  Ni  Ni166  1  0.955067  0.157167  0.586821  1
  Ni  Ni167  1  0.116962  0.287357  0.513812  1
  Ni  Ni168  1  0.518103  0.458960  0.578522  1
  Ni  Ni169  1  0.294725  0.524136  0.531802  1
  Ni  Ni170  1  0.695434  0.693043  0.596976  1
  Ni  Ni171  1  0.349290  0.825430  0.524618  1
  Ni  Ni172  1  0.778299  0.922718  0.568579  1
  Ni  Ni173  1  0.246029  0.632715  0.566405  1
  Ni  Ni174  1  0.811275  0.517050  0.523905  1
  Ni  Ni175  1  0.227437  0.982920  0.597692  1
  Ni  Ni176  1  0.832479  0.833731  0.532896  1
  Ni  Ni177  1  0.417476  0.844823  0.581050  1
  Ni  Ni178  1  0.007200  0.662269  0.515534  1
  Ni  Ni179  1  0.054933  0.770771  0.584723  1
  Ni  Ni180  1  0.636659  0.688000  0.541099  1
  Ni  Ni181  1  0.295583  0.149637  0.502119  1
  Ni  Ni182  1  0.695555  0.321010  0.565280  1
  Ni  Ni183  1  0.348414  0.199908  0.554407  1
  Ni  Ni184  1  0.777154  0.294567  0.600648  1
  Ni  Ni185  1  0.230324  0.239187  0.537976  1
  Ni  Ni186  1  0.635631  0.410706  0.602538  1
  Ni  Ni187  1  0.413555  0.110680  0.518668  1
  Ni  Ni188  1  0.837294  0.204560  0.562883  1
  Ni  Ni189  1  0.408305  0.477653  0.548346  1
  Ni  Ni190  1  0.835167  0.573013  0.592542  1
  Ni  Ni191  1  0.349040  0.524691  0.669865  1
  Ni  Ni192  1  0.949922  0.353528  0.605229  1
  Ni  Ni193  1  0.252997  0.463408  0.711832  1
  Ni  Ni194  1  0.852892  0.305167  0.650709  1
  Ni  Ni195  1  0.871728  0.680080  0.674180  1
  Ni  Ni196  1  0.444599  0.574895  0.625262  1
  Ni  Ni197  1  0.170840  0.182285  0.723559  1
  Ni  Ni198  1  0.765161  0.011589  0.659279  1
  Ni  Ni199  1  0.954955  0.960369  0.658563  1
  Ni  Ni200  1  0.532249  0.867037  0.613773  1
  Ni  Ni201  1  0.949365  0.321776  0.689814  1
  Ni  Ni202  1  0.516702  0.212993  0.644973  1
  Ni  Ni203  1  0.182447  0.832512  0.691561  1
  Ni  Ni204  1  0.784960  0.663675  0.629634  1
  Ni  Ni205  1  0.063455  0.136524  0.616908  1
  Ni  Ni206  1  0.468791  0.303384  0.682235  1
  Ni  Ni207  1  0.355550  0.324783  0.652533  1
  Ni  Ni208  1  0.788969  0.399299  0.690113  1
  Ni  Ni209  1  0.945790  0.551800  0.622719  1
  Ni  Ni210  1  0.348867  0.727698  0.687748  1
  Ni  Ni211  1  0.124836  0.790267  0.639949  1
  Ni  Ni212  1  0.527874  0.950841  0.706437  1
  Ni  Ni213  1  0.177714  0.089377  0.632061  1
  Ni  Ni214  1  0.605352  0.183017  0.678527  1
  Ni  Ni215  1  0.078933  0.906793  0.674465  1
  Ni  Ni216  1  0.639389  0.777581  0.632352  1
  Ni  Ni217  1  0.059450  0.254273  0.704613  1
  Ni  Ni218  1  0.662297  0.102949  0.644026  1
  Ni  Ni219  1  0.256059  0.110102  0.691777  1
  Ni  Ni220  1  0.836883  0.929539  0.624099  1
  Ni  Ni221  1  0.877837  0.040352  0.693761  1
  Ni  Ni222  1  0.462900  0.952148  0.651179  1
  Ni  Ni223  1  0.123939  0.415618  0.610933  1
  Ni  Ni224  1  0.521539  0.585122  0.672624  1
  Ni  Ni225  1  0.177142  0.465620  0.663689  1
  Ni  Ni226  1  0.596630  0.554297  0.708237  1
  Ni  Ni227  1  0.060997  0.508887  0.647856  1
  Ni  Ni228  1  0.461724  0.672942  0.711893  1
  Ni  Ni229  1  0.241411  0.375139  0.627562  1
  Ni  Ni230  1  0.662642  0.459325  0.675977  1
  Ni  Ni231  1  0.242889  0.750147  0.657564  1
  Ni  Ni232  1  0.657856  0.830242  0.702019  1
