# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64346536
_cell_length_b   12.57678727
_cell_length_c   56.57725341
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.15877444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5416.75422931
_cell_formula_units_Z   6
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  0.834840  0.548210  0.305722  1
  Zr  Zr2  1  0.925951  0.143631  0.378280  1
  Zr  Zr3  1  0.915660  0.999644  0.315248  1
  Zr  Zr4  1  1.007630  0.593743  0.387089  1
  Zr  Zr5  1  0.398863  0.956240  0.351240  1
  Zr  Zr6  1  0.324352  0.387269  0.284402  1
  Zr  Zr7  1  0.535476  0.778761  0.413599  1
  Zr  Zr8  1  0.440517  0.182433  0.341792  1
  Zr  Zr9  1  0.387539  0.874151  0.292015  1
  Zr  Zr10  1  0.486257  0.461811  0.359829  1
  Zr  Zr11  1  0.353406  0.680657  0.334716  1
  Zr  Zr12  1  0.449422  0.275512  0.405991  1
  Zr  Zr13  1  0.066846  0.930949  0.406246  1
  Zr  Zr14  1  0.970638  0.339169  0.334317  1
  Zr  Zr15  1  0.866869  0.804852  0.358576  1
  Zr  Zr16  1  0.773574  0.211179  0.288346  1
  Zr  Zr17  1  0.021502  0.737980  0.450037  1
  Zr  Zr18  1  0.116695  0.332348  0.521782  1
  Zr  Zr19  1  0.102729  0.188027  0.458679  1
  Zr  Zr20  1  0.197922  0.782394  0.530423  1
  Zr  Zr21  1  0.588987  0.147014  0.495004  1
  Zr  Zr22  1  0.494992  0.552475  0.423603  1
  Zr  Zr23  1  0.724432  0.967900  0.556858  1
  Zr  Zr24  1  0.630437  0.373361  0.485456  1
  Zr  Zr25  1  0.580399  0.055359  0.431170  1
  Zr  Zr26  1  0.675419  0.650179  0.502993  1
  Zr  Zr27  1  0.544005  0.870196  0.477467  1
  Zr  Zr28  1  0.639025  0.465016  0.549291  1
  Zr  Zr29  1  0.257401  0.119784  0.549809  1
  Zr  Zr30  1  0.162156  0.525504  0.478214  1
  Zr  Zr31  1  0.057268  0.994871  0.502247  1
  Zr  Zr32  1  0.962023  0.400591  0.430652  1
  Zr  Zr33  1  0.211794  0.926632  0.593372  1
  Zr  Zr34  1  0.303764  0.520731  0.665213  1
  Zr  Zr35  1  0.293473  0.376744  0.602180  1
  Zr  Zr36  1  0.384584  0.972165  0.674739  1
  Zr  Zr37  1  0.778907  0.337942  0.638669  1
  Zr  Zr38  1  0.683948  0.741614  0.566861  1
  Zr  Zr39  1  0.895072  0.133106  0.696059  1
  Zr  Zr40  1  0.820561  0.564135  0.629221  1
  Zr  Zr41  1  0.770002  0.244863  0.574470  1
  Zr  Zr42  1  0.866018  0.839718  0.645745  1
  Zr  Zr43  1  0.733167  0.058564  0.620632  1
  Zr  Zr44  1  0.831885  0.646224  0.688445  1
  Zr  Zr45  1  0.445850  0.309196  0.692115  1
  Zr  Zr46  1  0.352555  0.715523  0.621885  1
  Zr  Zr47  1  0.248786  0.181206  0.646144  1
  Zr  Zr48  1  0.152578  0.589426  0.574215  1
  Ni  Ni49  1  0.870651  0.768349  0.309824  1
  Ni  Ni50  1  0.966015  0.368517  0.382685  1
  Ni  Ni51  1  0.569384  0.698294  0.295605  1
  Ni  Ni52  1  0.681579  0.294212  0.366846  1
  Ni  Ni53  1  0.149605  0.845460  0.326445  1
  Ni  Ni54  1  0.252639  0.441479  0.398773  1
  Ni  Ni55  1  0.861732  0.759983  0.406738  1
  Ni  Ni56  1  0.768597  0.167677  0.333993  1
  Ni  Ni57  1  0.073500  0.977741  0.358110  1
  Ni  Ni58  1  0.982553  0.384679  0.286916  1
  Ni  Ni59  1  0.584293  0.109303  0.383624  1
  Ni  Ni60  1  0.497013  0.515184  0.312947  1
  Ni  Ni61  1  0.349761  0.627185  0.382422  1
  Ni  Ni62  1  0.251737  0.035876  0.310641  1
  Ni  Ni63  1  0.260668  0.107068  0.383149  1
  Ni  Ni64  1  0.168905  0.512955  0.313203  1
  Ni  Ni65  1  0.146195  0.697600  0.295724  1
  Ni  Ni66  1  0.231570  0.294907  0.368501  1
  Ni  Ni67  1  0.613089  0.846773  0.325298  1
  Ni  Ni68  1  0.702013  0.441062  0.397185  1
  Ni  Ni69  1  0.541742  0.798737  0.368597  1
  Ni  Ni70  1  0.449022  0.215150  0.297106  1
  Ni  Ni71  1  0.392973  0.936824  0.396584  1
  Ni  Ni72  1  0.301202  0.346176  0.326247  1
  Ni  Ni73  1  0.202890  0.791591  0.370751  1
  Ni  Ni74  1  0.118376  0.211579  0.300521  1
  Ni  Ni75  1  0.730906  0.944410  0.394371  1
  Ni  Ni76  1  0.636405  0.352274  0.322387  1
  Ni  Ni77  1  0.209632  0.745094  0.411788  1
  Ni  Ni78  1  0.112347  0.151459  0.340250  1
  Ni  Ni79  1  0.725230  0.995038  0.353296  1
  Ni  Ni80  1  0.650854  0.394729  0.281355  1
  Ni  Ni81  1  0.020477  0.649305  0.339032  1
  Ni  Ni82  1  0.116702  0.246269  0.411764  1
  Ni  Ni83  1  0.721460  0.889957  0.283554  1
  Ni  Ni84  1  0.817407  0.491555  0.353201  1
  Ni  Ni85  1  0.677452  0.651510  0.338643  1
  Ni  Ni86  1  0.771566  0.247315  0.410980  1
  Ni  Ni87  1  0.060615  0.886759  0.283844  1
  Ni  Ni88  1  0.162887  0.489610  0.355318  1
  Ni  Ni89  1  0.674045  0.629213  0.382272  1
  Ni  Ni90  1  0.582549  0.037350  0.310331  1
  Ni  Ni91  1  0.062117  0.962847  0.454254  1
  Ni  Ni92  1  0.157307  0.557528  0.526207  1
  Ni  Ni93  1  0.776721  0.889284  0.438524  1
  Ni  Ni94  1  0.872027  0.483974  0.510414  1
  Ni  Ni95  1  0.347397  0.036401  0.470046  1
  Ni  Ni96  1  0.442703  0.631091  0.541936  1
  Ni  Ni97  1  0.051335  0.948522  0.550198  1
  Ni  Ni98  1  0.956734  0.354425  0.478567  1
  Ni  Ni99  1  0.262690  0.165950  0.501894  1
  Ni  Ni100  1  0.168089  0.571853  0.430263  1
  Ni  Ni101  1  0.775208  0.298787  0.526909  1
  Ni  Ni102  1  0.680201  0.704204  0.455256  1
  Ni  Ni103  1  0.539223  0.816171  0.525205  1
  Ni  Ni104  1  0.444216  0.221588  0.453552  1
  Ni  Ni105  1  0.450927  0.296587  0.526516  1
  Ni  Ni106  1  0.355939  0.702208  0.454800  1
  Ni  Ni107  1  0.326983  0.890230  0.439762  1
  Ni  Ni108  1  0.421921  0.484758  0.511631  1
  Ni  Ni109  1  0.797503  0.035617  0.468830  1
  Ni  Ni110  1  0.892441  0.630145  0.540699  1
  Ni  Ni111  1  0.731384  0.988438  0.511907  1
  Ni  Ni112  1  0.636438  0.393940  0.440402  1
  Ni  Ni113  1  0.582986  0.126435  0.540059  1
  Ni  Ni114  1  0.488040  0.531937  0.468554  1
  Ni  Ni115  1  0.393754  0.981131  0.514062  1
  Ni  Ni116  1  0.298682  0.386758  0.442544  1
  Ni  Ni117  1  0.920742  0.133617  0.537917  1
  Ni  Ni118  1  0.825670  0.539244  0.466399  1
  Ni  Ni119  1  0.399548  0.933351  0.555113  1
  Ni  Ni120  1  0.305061  0.339009  0.483501  1
  Ni  Ni121  1  0.914363  0.181366  0.496960  1
  Ni  Ni122  1  0.819876  0.587024  0.425347  1
  Ni  Ni123  1  0.212098  0.840948  0.483383  1
  Ni  Ni124  1  0.307295  0.435643  0.555242  1
  Ni  Ni125  1  0.912129  0.084732  0.425219  1
  Ni  Ni126  1  1.007326  0.679427  0.497078  1
  Ni  Ni127  1  0.866648  0.841925  0.482674  1
  Ni  Ni128  1  0.961709  0.436602  0.554466  1
  Ni  Ni129  1  0.257715  0.083773  0.425995  1
  Ni  Ni130  1  0.352776  0.678450  0.497786  1
  Ni  Ni131  1  0.863485  0.818167  0.525661  1
  Ni  Ni132  1  0.768497  0.223788  0.453945  1
  Ni  Ni133  1  0.253409  0.151858  0.597776  1
  Ni  Ni134  1  0.348773  0.752026  0.670637  1
  Ni  Ni135  1  0.966785  0.078896  0.581687  1
  Ni  Ni136  1  0.069819  0.674915  0.654015  1
  Ni  Ni137  1  0.537845  0.226163  0.613615  1
  Ni  Ni138  1  0.650040  0.822081  0.684856  1
  Ni  Ni139  1  0.236871  0.135696  0.693545  1
  Ni  Ni140  1  0.145924  0.542634  0.622350  1
  Ni  Ni141  1  0.450827  0.352698  0.646468  1
  Ni  Ni142  1  0.357692  0.760392  0.573723  1
  Ni  Ni143  1  0.967687  0.484499  0.669820  1
  Ni  Ni144  1  0.869663  0.893190  0.598039  1
  Ni  Ni145  1  0.722411  1.005191  0.667514  1
  Ni  Ni146  1  0.635131  0.411072  0.596836  1
  Ni  Ni147  1  0.636875  0.483025  0.670130  1
  Ni  Ni148  1  0.545379  0.891162  0.598189  1
  Ni  Ni149  1  0.517411  0.079313  0.583275  1
  Ni  Ni150  1  0.606335  0.673602  0.655163  1
  Ni  Ni151  1  0.987854  0.225468  0.611960  1
  Ni  Ni152  1  0.073229  0.822775  0.684737  1
  Ni  Ni153  1  0.918222  0.174199  0.654213  1
  Ni  Ni154  1  0.826451  0.583551  0.583876  1
  Ni  Ni155  1  0.770402  0.305225  0.683355  1
  Ni  Ni156  1  0.677682  0.721638  0.611864  1
  Ni  Ni157  1  0.583019  0.168101  0.658073  1
  Ni  Ni158  1  0.488518  0.575965  0.586089  1
  Ni  Ni159  1  0.101048  0.308796  0.679940  1
  Ni  Ni160  1  0.016534  0.728784  0.609710  1
  Ni  Ni161  1  0.568570  0.125646  0.699105  1
  Ni  Ni162  1  0.494194  0.525337  0.627165  1
  Ni  Ni163  1  0.107077  0.368916  0.640210  1
  Ni  Ni164  1  0.009792  0.775281  0.568673  1
  Ni  Ni165  1  0.402017  0.028820  0.627260  1
  Ni  Ni166  1  0.497964  0.630418  0.696907  1
  Ni  Ni167  1  0.102722  0.274106  0.568697  1
  Ni  Ni168  1  0.198947  0.871070  0.641429  1
  Ni  Ni169  1  0.056537  0.030765  0.625142  1
  Ni  Ni170  1  0.158809  0.633616  0.696617  1
  Ni  Ni171  1  0.447858  0.273060  0.569481  1
  Ni  Ni172  1  0.541972  0.868865  0.641818  1
  Ni  Ni173  1  0.050519  1.007420  0.667257  1
  Ni  Ni174  1  0.958756  0.413307  0.597312  1
