# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10874996
_cell_length_b   12.00056993
_cell_length_c   48.34684820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.30897574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr56 Ni147'
_cell_volume   5873.74503449
_cell_formula_units_Z   7
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  0.994902  0.176077  0.258152  1
  Zr  Zr2  1  0.059405  0.415780  0.320182  1
  Zr  Zr3  1  0.358412  0.275275  0.314482  1
  Zr  Zr4  1  0.724490  0.352054  0.264727  1
  Zr  Zr5  1  0.911688  0.737411  0.314412  1
  Zr  Zr6  1  0.140934  0.878010  0.265834  1
  Zr  Zr7  1  0.762702  0.027723  0.302721  1
  Zr  Zr8  1  0.289886  0.569358  0.272974  1
  Zr  Zr9  1  0.452963  0.907475  0.322990  1
  Zr  Zr10  1  0.508791  0.143419  0.388316  1
  Zr  Zr11  1  0.809262  0.004970  0.380310  1
  Zr  Zr12  1  0.147240  0.042621  0.327654  1
  Zr  Zr13  1  0.362865  0.461532  0.382126  1
  Zr  Zr14  1  0.596009  0.592894  0.330317  1
  Zr  Zr15  1  0.218824  0.758247  0.371855  1
  Zr  Zr16  1  0.742152  0.297790  0.340721  1
  Zr  Zr17  1  0.904652  0.635258  0.391160  1
  Zr  Zr18  1  0.960939  0.870987  0.455413  1
  Zr  Zr19  1  0.261796  0.730513  0.448777  1
  Zr  Zr20  1  0.603241  0.775039  0.397415  1
  Zr  Zr21  1  0.816196  0.186292  0.449240  1
  Zr  Zr22  1  0.050252  0.318729  0.396955  1
  Zr  Zr23  1  0.671505  0.484824  0.439719  1
  Zr  Zr24  1  0.194445  0.020323  0.407151  1
  Zr  Zr25  1  0.356837  0.360928  0.458426  1
  Zr  Zr26  1  0.413348  0.596964  0.523273  1
  Zr  Zr27  1  0.714185  0.458571  0.516191  1
  Zr  Zr28  1  0.056009  0.499169  0.465613  1
  Zr  Zr29  1  0.267191  0.912407  0.517037  1
  Zr  Zr30  1  0.502762  0.045187  0.464626  1
  Zr  Zr31  1  0.123894  0.209538  0.506846  1
  Zr  Zr32  1  0.646200  0.747794  0.474802  1
  Zr  Zr33  1  0.809175  0.086858  0.526103  1
  Zr  Zr34  1  0.865482  0.322405  0.590473  1
  Zr  Zr35  1  0.166587  0.182949  0.584125  1
  Zr  Zr36  1  0.508088  0.227373  0.532885  1
  Zr  Zr37  1  0.719241  0.639069  0.584897  1
  Zr  Zr38  1  0.953685  0.771804  0.532483  1
  Zr  Zr39  1  0.575785  0.937608  0.574479  1
  Zr  Zr40  1  0.098702  0.473718  0.542006  1
  Zr  Zr41  1  0.261423  0.814416  0.593199  1
  Zr  Zr42  1  0.316788  0.050329  0.658167  1
  Zr  Zr43  1  0.624651  0.915992  0.654775  1
  Zr  Zr44  1  0.959887  0.954133  0.601941  1
  Zr  Zr45  1  0.174587  0.364705  0.651327  1
  Zr  Zr46  1  0.407366  0.496104  0.599619  1
  Zr  Zr47  1  0.027259  0.660981  0.641013  1
  Zr  Zr48  1  0.551151  0.199012  0.609585  1
  Zr  Zr49  1  0.711190  0.542476  0.661846  1
  Zr  Zr50  1  0.769351  0.770216  0.722863  1
  Zr  Zr51  1  0.046607  0.607890  0.717138  1
  Zr  Zr52  1  0.411665  0.683909  0.666867  1
  Zr  Zr53  1  0.628190  0.077198  0.715416  1
  Zr  Zr54  1  0.859649  0.219044  0.666734  1
  Zr  Zr55  1  0.480691  0.388274  0.708652  1
  Zr  Zr56  1  1.006939  0.927554  0.678184  1
  Ni  Ni57  1  0.793253  0.929731  0.251602  1
  Ni  Ni58  1  0.180019  0.832700  0.318962  1
  Ni  Ni59  1  0.879256  0.762222  0.258732  1
  Ni  Ni60  1  0.856217  0.257097  0.295155  1
  Ni  Ni61  1  0.205321  0.336816  0.285078  1
  Ni  Ni62  1  0.344930  0.030152  0.294832  1
  Ni  Ni63  1  0.719978  0.572086  0.282759  1
  Ni  Ni64  1  0.196085  0.124118  0.273656  1
  Ni  Ni65  1  0.965432  0.958217  0.285268  1
  Ni  Ni66  1  0.074852  0.644798  0.285979  1
  Ni  Ni67  1  0.614101  0.374832  0.308218  1
  Ni  Ni68  1  0.454733  0.240142  0.270451  1
  Ni  Ni69  1  0.473416  0.465363  0.282598  1
  Ni  Ni70  1  0.598609  0.149530  0.295250  1
  Ni  Ni71  1  0.029635  0.166870  0.309728  1
  Ni  Ni72  1  1.012494  0.421442  0.266270  1
  Ni  Ni73  1  0.481885  0.705658  0.302908  1
  Ni  Ni74  1  0.562419  0.874163  0.272505  1
  Ni  Ni75  1  0.319786  0.798248  0.279406  1
  Ni  Ni76  1  0.726133  0.796578  0.294672  1
  Ni  Ni77  1  0.865977  0.481991  0.303807  1
  Ni  Ni78  1  0.251082  0.660106  0.320595  1
  Ni  Ni79  1  0.628515  0.560469  0.387179  1
  Ni  Ni80  1  0.331093  0.489983  0.324122  1
  Ni  Ni81  1  0.307624  0.989079  0.358127  1
  Ni  Ni82  1  0.653307  0.066410  0.351228  1
  Ni  Ni83  1  0.789304  0.754597  0.362887  1
  Ni  Ni84  1  0.172451  0.296745  0.348967  1
  Ni  Ni85  1  0.643893  0.844898  0.339858  1
  Ni  Ni86  1  0.426475  0.681507  0.354564  1
  Ni  Ni87  1  0.529834  0.373269  0.356415  1
  Ni  Ni88  1  0.062728  0.098248  0.373688  1
  Ni  Ni89  1  0.894384  0.948130  0.335497  1
  Ni  Ni90  1  0.916099  0.195089  0.348831  1
  Ni  Ni91  1  0.045018  0.860684  0.362433  1
  Ni  Ni92  1  0.484301  0.895630  0.377340  1
  Ni  Ni93  1  0.477678  0.157670  0.334353  1
  Ni  Ni94  1  0.938947  0.441066  0.370549  1
  Ni  Ni95  1  0.023832  0.613554  0.339811  1
  Ni  Ni96  1  0.774193  0.526780  0.346745  1
  Ni  Ni97  1  0.187026  0.530465  0.364880  1
  Ni  Ni98  1  0.315156  0.205548  0.370638  1
  Ni  Ni99  1  0.706358  0.390655  0.389865  1
  Ni  Ni100  1  0.081173  0.285533  0.454072  1
  Ni  Ni101  1  0.785186  0.219060  0.392234  1
  Ni  Ni102  1  0.760552  0.714535  0.426374  1
  Ni  Ni103  1  0.104301  0.790617  0.420449  1
  Ni  Ni104  1  0.241162  0.480132  0.430472  1
  Ni  Ni105  1  0.625211  0.025594  0.415975  1
  Ni  Ni106  1  0.097514  0.572058  0.408637  1
  Ni  Ni107  1  0.882475  0.406653  0.422747  1
  Ni  Ni108  1  0.983103  0.098421  0.423306  1
  Ni  Ni109  1  0.515923  0.829264  0.442193  1
  Ni  Ni110  1  0.350272  0.677612  0.404293  1
  Ni  Ni111  1  0.369642  0.919165  0.416830  1
  Ni  Ni112  1  0.496554  0.586603  0.429896  1
  Ni  Ni113  1  0.935517  0.618486  0.445557  1
  Ni  Ni114  1  0.928684  0.885733  0.401283  1
  Ni  Ni115  1  0.390041  0.164985  0.438125  1
  Ni  Ni116  1  0.475637  0.340248  0.408470  1
  Ni  Ni117  1  0.225502  0.248695  0.413935  1
  Ni  Ni118  1  0.640359  0.256236  0.432550  1
  Ni  Ni119  1  0.768145  0.933654  0.437794  1
  Ni  Ni120  1  0.158773  0.115406  0.456799  1
  Ni  Ni121  1  0.532808  0.012315  0.521901  1
  Ni  Ni122  1  0.237467  0.945400  0.459707  1
  Ni  Ni123  1  0.214369  0.439783  0.493833  1
  Ni  Ni124  1  0.555749  0.517577  0.488022  1
  Ni  Ni125  1  0.693271  0.205413  0.498011  1
  Ni  Ni126  1  0.076741  0.752791  0.483694  1
  Ni  Ni127  1  0.549306  0.298325  0.476081  1
  Ni  Ni128  1  0.334026  0.132160  0.490283  1
  Ni  Ni129  1  0.436140  0.825387  0.491430  1
  Ni  Ni130  1  0.967700  0.557529  0.509661  1
  Ni  Ni131  1  0.802435  0.401034  0.472103  1
  Ni  Ni132  1  0.821138  0.648569  0.484467  1
  Ni  Ni133  1  0.949083  0.309330  0.497281  1
  Ni  Ni134  1  0.387372  0.344982  0.512719  1
  Ni  Ni135  1  0.382291  0.612446  0.469019  1
  Ni  Ni136  1  0.842065  0.891384  0.505899  1
  Ni  Ni137  1  0.927978  0.066238  0.475773  1
  Ni  Ni138  1  0.678615  0.975854  0.481755  1
  Ni  Ni139  1  0.091357  0.981596  0.499885  1
  Ni  Ni140  1  0.220744  0.659482  0.505581  1
  Ni  Ni141  1  0.611708  0.842380  0.524911  1
  Ni  Ni142  1  0.984112  0.739076  0.589426  1
  Ni  Ni143  1  0.689010  0.672310  0.527698  1
  Ni  Ni144  1  0.666079  0.167516  0.561029  1
  Ni  Ni145  1  1.009612  0.244004  0.555079  1
  Ni  Ni146  1  0.143883  0.932177  0.565808  1
  Ni  Ni147  1  0.528941  0.477745  0.551219  1
  Ni  Ni148  1  1.001608  0.024161  0.543857  1
  Ni  Ni149  1  0.787359  0.859421  0.558561  1
  Ni  Ni150  1  0.887457  0.551553  0.559019  1
  Ni  Ni151  1  0.419633  0.280450  0.577342  1
  Ni  Ni152  1  0.253955  0.127914  0.539514  1
  Ni  Ni153  1  0.273462  0.371829  0.551755  1
  Ni  Ni154  1  0.400379  0.038139  0.564642  1
  Ni  Ni155  1  0.841506  0.072690  0.580057  1
  Ni  Ni156  1  0.835043  0.339831  0.536113  1
  Ni  Ni157  1  0.294529  0.617577  0.573245  1
  Ni  Ni158  1  0.380024  0.792650  0.543508  1
  Ni  Ni159  1  0.129382  0.701889  0.549140  1
  Ni  Ni160  1  0.544634  0.709349  0.567795  1
  Ni  Ni161  1  0.672572  0.385728  0.573064  1
  Ni  Ni162  1  0.063813  0.567810  0.591906  1
  Ni  Ni163  1  0.438804  0.467189  0.657483  1
  Ni  Ni164  1  0.141564  0.397612  0.594513  1
  Ni  Ni165  1  0.116844  0.892069  0.630005  1
  Ni  Ni166  1  0.463630  0.967551  0.623673  1
  Ni  Ni167  1  0.597580  0.661183  0.632917  1
  Ni  Ni168  1  0.980715  0.202790  0.618589  1
  Ni  Ni169  1  0.455057  0.752177  0.611018  1
  Ni  Ni170  1  0.240368  0.584759  0.625298  1
  Ni  Ni171  1  0.343504  0.275716  0.627129  1
  Ni  Ni172  1  0.875656  0.010241  0.647057  1
  Ni  Ni173  1  0.706825  0.860609  0.608283  1
  Ni  Ni174  1  0.725094  0.095362  0.619138  1
  Ni  Ni175  1  0.853397  0.762559  0.632838  1
  Ni  Ni176  1  0.291279  0.800536  0.647220  1
  Ni  Ni177  1  0.286022  0.062599  0.603988  1
  Ni  Ni178  1  0.746548  0.343868  0.641880  1
  Ni  Ni179  1  0.830996  0.516516  0.611140  1
  Ni  Ni180  1  0.583135  0.426830  0.616849  1
  Ni  Ni181  1  0.996400  0.431605  0.634947  1
  Ni  Ni182  1  0.125108  0.113559  0.642170  1
  Ni  Ni183  1  0.519710  0.298284  0.661096  1
  Ni  Ni184  1  0.880241  0.212872  0.721396  1
  Ni  Ni185  1  0.590128  0.125404  0.662377  1
  Ni  Ni186  1  0.562099  0.620918  0.695955  1
  Ni  Ni187  1  0.914104  0.699307  0.686790  1
  Ni  Ni188  1  0.053545  0.388315  0.698429  1
  Ni  Ni189  1  0.424328  0.928200  0.686671  1
  Ni  Ni190  1  0.904751  0.473916  0.678064  1
  Ni  Ni191  1  0.697048  0.310644  0.695750  1
  Ni  Ni192  1  0.812874  1.000088  0.698651  1
  Ni  Ni193  1  0.316666  0.719109  0.711054  1
  Ni  Ni194  1  0.155984  0.584990  0.673404  1
  Ni  Ni195  1  0.171769  0.809955  0.686506  1
  Ni  Ni196  1  0.297635  0.494057  0.698864  1
  Ni  Ni197  1  0.759890  0.531232  0.715724  1
  Ni  Ni198  1  0.741901  0.792355  0.672069  1
  Ni  Ni199  1  0.211063  0.077099  0.708334  1
  Ni  Ni200  1  0.287964  0.250578  0.678918  1
  Ni  Ni201  1  0.045041  0.162608  0.688077  1
  Ni  Ni202  1  0.452003  0.159379  0.701996  1
  Ni  Ni203  1  0.575602  0.834118  0.708138  1
