# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.22198140
_cell_length_b   8.57026086
_cell_length_c   54.93658026
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.84061299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6978.62869879
_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  0.390834  0.363377  0.350334  1
  Zr  Zr2  1  0.923803  0.478419  0.295490  1
  Zr  Zr3  1  0.906129  0.810420  0.367443  1
  Zr  Zr4  1  0.443209  0.944562  0.312379  1
  Zr  Zr5  1  0.138953  0.084310  0.315133  1
  Zr  Zr6  1  0.605377  0.963595  0.371593  1
  Zr  Zr7  1  0.222399  0.348219  0.292516  1
  Zr  Zr8  1  0.688780  0.205101  0.345177  1
  Zr  Zr9  1  0.220937  0.750999  0.278281  1
  Zr  Zr10  1  0.691285  0.614966  0.331502  1
  Zr  Zr11  1  0.135207  0.683212  0.330343  1
  Zr  Zr12  1  0.604424  0.556016  0.386552  1
  Zr  Zr13  1  0.953014  0.295874  0.350649  1
  Zr  Zr14  1  0.477579  0.431867  0.296035  1
  Zr  Zr15  1  0.345638  0.873648  0.366948  1
  Zr  Zr16  1  0.879970  0.994417  0.311186  1
  Zr  Zr17  1  0.326590  0.103286  0.460648  1
  Zr  Zr18  1  0.858697  0.229078  0.404962  1
  Zr  Zr19  1  0.842022  0.555619  0.478261  1
  Zr  Zr20  1  0.373953  0.684401  0.422949  1
  Zr  Zr21  1  0.073729  0.834815  0.426858  1
  Zr  Zr22  1  0.541775  0.707418  0.482312  1
  Zr  Zr23  1  0.159022  0.079436  0.401118  1
  Zr  Zr24  1  0.627029  0.951169  0.456586  1
  Zr  Zr25  1  0.160116  0.487475  0.386269  1
  Zr  Zr26  1  0.628306  0.359003  0.441635  1
  Zr  Zr27  1  0.072325  0.427051  0.441702  1
  Zr  Zr28  1  0.540483  0.299541  0.497133  1
  Zr  Zr29  1  0.887065  0.043143  0.461214  1
  Zr  Zr30  1  0.419037  0.171090  0.405904  1
  Zr  Zr31  1  0.281460  0.615649  0.477608  1
  Zr  Zr32  1  0.813784  0.742495  0.422170  1
  Zr  Zr33  1  0.262609  0.846305  0.571295  1
  Zr  Zr34  1  0.794593  0.975107  0.515989  1
  Zr  Zr35  1  0.778009  0.301764  0.589306  1
  Zr  Zr36  1  0.309998  0.427470  0.533595  1
  Zr  Zr37  1  0.009577  0.579606  0.537681  1
  Zr  Zr38  1  0.477604  0.451302  0.593122  1
  Zr  Zr39  1  0.094805  0.823305  0.511942  1
  Zr  Zr40  1  0.562824  0.696021  0.567397  1
  Zr  Zr41  1  0.096105  0.231209  0.497120  1
  Zr  Zr42  1  0.564303  0.103729  0.552538  1
  Zr  Zr43  1  0.008284  0.171758  0.552644  1
  Zr  Zr44  1  0.476332  0.043512  0.607895  1
  Zr  Zr45  1  0.822866  0.788355  0.572089  1
  Zr  Zr46  1  0.355116  0.915088  0.516635  1
  Zr  Zr47  1  0.217607  0.359594  0.588337  1
  Zr  Zr48  1  0.749588  0.487517  0.533031  1
  Zr  Zr49  1  0.193165  0.585828  0.681873  1
  Zr  Zr50  1  0.730328  0.720349  0.626726  1
  Zr  Zr51  1  0.712944  0.051436  0.697994  1
  Zr  Zr52  1  0.245833  0.167219  0.643913  1
  Zr  Zr53  1  0.947787  0.326574  0.649196  1
  Zr  Zr54  1  0.414333  0.182043  0.701774  1
  Zr  Zr55  1  0.031232  0.566988  0.622632  1
  Zr  Zr56  1  0.497243  0.445560  0.678985  1
  Zr  Zr57  1  0.032092  0.974511  0.607747  1
  Zr  Zr58  1  0.501656  0.847630  0.663917  1
  Zr  Zr59  1  0.944929  0.915259  0.662855  1
  Zr  Zr60  1  0.416406  0.779594  0.715943  1
  Zr  Zr61  1  0.755426  0.536449  0.682733  1
  Zr  Zr62  1  0.290824  0.657194  0.627304  1
  Zr  Zr63  1  0.159258  0.098423  0.698204  1
  Zr  Zr64  1  0.683863  0.234526  0.643654  1
  Ni  Ni65  1  0.927122  0.765682  0.275901  1
  Ni  Ni66  1  0.415972  0.654502  0.330565  1
  Ni  Ni67  1  0.303006  0.539863  0.310873  1
  Ni  Ni68  1  0.769197  0.405765  0.366476  1
  Ni  Ni69  1  0.050069  0.885565  0.294895  1
  Ni  Ni70  1  0.528266  0.764970  0.350546  1
  Ni  Ni71  1  0.384959  0.235867  0.305339  1
  Ni  Ni72  1  0.853279  0.107419  0.358202  1
  Ni  Ni73  1  0.972517  0.188344  0.304750  1
  Ni  Ni74  1  0.442139  0.064342  0.357530  1
  Ni  Ni75  1  0.219903  0.389776  0.340152  1
  Ni  Ni76  1  0.748579  0.531961  0.287825  1
  Ni  Ni77  1  0.079915  0.781136  0.377105  1
  Ni  Ni78  1  0.616200  0.912926  0.320985  1
  Ni  Ni79  1  0.070719  0.405401  0.320809  1
  Ni  Ni80  1  0.536977  0.281544  0.376076  1
  Ni  Ni81  1  0.081221  0.593049  0.285610  1
  Ni  Ni82  1  0.555259  0.466047  0.340665  1
  Ni  Ni83  1  0.275097  0.836324  0.320435  1
  Ni  Ni84  1  0.741365  0.704083  0.375740  1
  Ni  Ni85  1  0.177192  0.935456  0.357216  1
  Ni  Ni86  1  0.716802  0.066176  0.301103  1
  Ni  Ni87  1  0.121193  0.232893  0.359159  1
  Ni  Ni88  1  0.649658  0.357281  0.302761  1
  Ni  Ni89  1  0.016956  0.968784  0.340596  1
  Ni  Ni90  1  0.554690  0.123465  0.288092  1
  Ni  Ni91  1  0.280513  0.201524  0.376512  1
  Ni  Ni92  1  0.811096  0.326792  0.321730  1
  Ni  Ni93  1  0.006177  0.055449  0.384151  1
  Ni  Ni94  1  0.536053  0.187529  0.329433  1
  Ni  Ni95  1  0.288982  0.115306  0.333025  1
  Ni  Ni96  1  0.815928  0.243882  0.280769  1
  Ni  Ni97  1  0.968766  0.704581  0.320740  1
  Ni  Ni98  1  0.440097  0.584331  0.376744  1
  Ni  Ni99  1  0.390707  0.726499  0.286306  1
  Ni  Ni100  1  0.856336  0.585165  0.340222  1
  Ni  Ni101  1  0.276769  0.634037  0.357555  1
  Ni  Ni102  1  0.800776  0.759791  0.303804  1
  Ni  Ni103  1  0.019584  0.539230  0.359593  1
  Ni  Ni104  1  0.555031  0.663534  0.304116  1
  Ni  Ni105  1  0.294442  0.025629  0.287373  1
  Ni  Ni106  1  0.761063  0.893833  0.342112  1
  Ni  Ni107  1  0.882658  0.519585  0.386254  1
  Ni  Ni108  1  0.350268  0.393643  0.441757  1
  Ni  Ni109  1  0.237385  0.280293  0.421717  1
  Ni  Ni110  1  0.705480  0.151817  0.477078  1
  Ni  Ni111  1  0.995354  0.633810  0.406290  1
  Ni  Ni112  1  0.463271  0.507003  0.461789  1
  Ni  Ni113  1  0.321002  0.980788  0.414794  1
  Ni  Ni114  1  0.789177  0.852186  0.469991  1
  Ni  Ni115  1  0.911863  0.932946  0.413537  1
  Ni  Ni116  1  0.379461  0.806525  0.468869  1
  Ni  Ni117  1  0.153448  0.132319  0.450970  1
  Ni  Ni118  1  0.685638  0.259335  0.395501  1
  Ni  Ni119  1  0.015093  0.526441  0.487884  1
  Ni  Ni120  1  0.547210  0.654948  0.432545  1
  Ni  Ni121  1  0.004823  0.150494  0.431004  1
  Ni  Ni122  1  0.472839  0.023177  0.486471  1
  Ni  Ni123  1  0.024460  0.336546  0.396631  1
  Ni  Ni124  1  0.491650  0.210186  0.452164  1
  Ni  Ni125  1  0.208860  0.576804  0.431293  1
  Ni  Ni126  1  0.676986  0.448648  0.486724  1
  Ni  Ni127  1  0.113637  0.679537  0.468234  1
  Ni  Ni128  1  0.646288  0.807850  0.412842  1
  Ni  Ni129  1  0.054874  0.978926  0.470578  1
  Ni  Ni130  1  0.586773  0.106936  0.415327  1
  Ni  Ni131  1  0.952268  0.714033  0.451691  1
  Ni  Ni132  1  0.484329  0.842675  0.396394  1
  Ni  Ni133  1  0.216280  0.944420  0.487168  1
  Ni  Ni134  1  0.748422  0.071764  0.431702  1
  Ni  Ni135  1  0.942071  0.801630  0.494973  1
  Ni  Ni136  1  0.474218  0.929808  0.439619  1
  Ni  Ni137  1  0.226157  0.857266  0.443971  1
  Ni  Ni138  1  0.759346  0.985177  0.388480  1
  Ni  Ni139  1  0.907983  0.451888  0.432048  1
  Ni  Ni140  1  0.375824  0.325368  0.487559  1
  Ni  Ni141  1  0.324646  0.463182  0.395957  1
  Ni  Ni142  1  0.792898  0.333091  0.451232  1
  Ni  Ni143  1  0.212885  0.374499  0.468375  1
  Ni  Ni144  1  0.745294  0.501536  0.412926  1
  Ni  Ni145  1  0.955697  0.284177  0.470480  1
  Ni  Ni146  1  0.487219  0.413137  0.415160  1
  Ni  Ni147  1  0.228002  0.764810  0.397162  1
  Ni  Ni148  1  0.695922  0.635194  0.452350  1
  Ni  Ni149  1  0.818325  0.265347  0.497124  1
  Ni  Ni150  1  0.286301  0.137067  0.552485  1
  Ni  Ni151  1  0.173279  0.023719  0.532462  1
  Ni  Ni152  1  0.641271  0.897048  0.587950  1
  Ni  Ni153  1  0.931148  0.378930  0.517180  1
  Ni  Ni154  1  0.399159  0.250537  0.572512  1
  Ni  Ni155  1  0.257115  0.724218  0.525373  1
  Ni  Ni156  1  0.724775  0.597852  0.580620  1
  Ni  Ni157  1  0.847429  0.678548  0.524273  1
  Ni  Ni158  1  0.315595  0.549987  0.579467  1
  Ni  Ni159  1  0.089328  0.875787  0.561725  1
  Ni  Ni160  1  0.621514  1.004301  0.506367  1
  Ni  Ni161  1  0.951041  0.271456  0.598802  1
  Ni  Ni162  1  0.483176  0.398454  0.543278  1
  Ni  Ni163  1  0.940664  0.895597  0.541915  1
  Ni  Ni164  1  0.408549  0.765961  0.597079  1
  Ni  Ni165  1  0.959641  0.082083  0.507536  1
  Ni  Ni166  1  0.427682  0.953960  0.562938  1
  Ni  Ni167  1  0.144931  0.320548  0.542086  1
  Ni  Ni168  1  0.612255  0.194232  0.597591  1
  Ni  Ni169  1  0.049903  0.423754  0.578936  1
  Ni  Ni170  1  0.581754  0.551857  0.523676  1
  Ni  Ni171  1  0.990243  0.722864  0.581431  1
  Ni  Ni172  1  0.522953  0.851239  0.526011  1
  Ni  Ni173  1  0.888258  0.458997  0.562573  1
  Ni  Ni174  1  0.420309  0.586309  0.507080  1
  Ni  Ni175  1  0.152208  0.688039  0.597865  1
  Ni  Ni176  1  0.684347  0.816712  0.542559  1
  Ni  Ni177  1  0.877170  0.545587  0.605817  1
  Ni  Ni178  1  0.410404  0.673473  0.550275  1
  Ni  Ni179  1  0.162386  0.600941  0.554634  1
  Ni  Ni180  1  0.694529  0.729091  0.499287  1
  Ni  Ni181  1  0.843732  0.197643  0.543026  1
  Ni  Ni182  1  0.311864  0.067518  0.598290  1
  Ni  Ni183  1  0.260751  0.205370  0.506686  1
  Ni  Ni184  1  0.728692  0.078910  0.562208  1
  Ni  Ni185  1  0.149347  0.117535  0.579099  1
  Ni  Ni186  1  0.680924  0.246549  0.523769  1
  Ni  Ni187  1  0.891383  0.029291  0.581364  1
  Ni  Ni188  1  0.423700  0.156266  0.525867  1
  Ni  Ni189  1  0.163745  0.507565  0.507776  1
  Ni  Ni190  1  0.631847  0.380285  0.563239  1
  Ni  Ni191  1  0.754138  0.011303  0.608000  1
  Ni  Ni192  1  0.220601  0.876000  0.663672  1
  Ni  Ni193  1  0.108086  0.765501  0.643763  1
  Ni  Ni194  1  0.585302  0.643985  0.698905  1
  Ni  Ni195  1  0.867647  0.125187  0.627844  1
  Ni  Ni196  1  0.333745  0.990662  0.683355  1
  Ni  Ni197  1  0.194459  0.466388  0.636636  1
  Ni  Ni198  1  0.663614  0.341517  0.689525  1
  Ni  Ni199  1  0.783304  0.423616  0.636133  1
  Ni  Ni200  1  0.251626  0.294634  0.688984  1
  Ni  Ni201  1  0.019589  0.617317  0.673372  1
  Ni  Ni202  1  0.556602  0.749854  0.617158  1
  Ni  Ni203  1  0.888089  0.999590  0.706227  1
  Ni  Ni204  1  0.416852  0.141119  0.654098  1
  Ni  Ni205  1  0.874730  0.637622  0.652295  1
  Ni  Ni206  1  0.342147  0.505045  0.706873  1
  Ni  Ni207  1  0.895228  0.826619  0.618572  1
  Ni  Ni208  1  0.361628  0.694341  0.673827  1
  Ni  Ni209  1  0.081132  0.064572  0.653599  1
  Ni  Ni210  1  0.555768  0.937089  0.708286  1
  Ni  Ni211  1  0.987197  0.173513  0.691490  1
  Ni  Ni212  1  0.515712  0.297904  0.635030  1
  Ni  Ni213  1  0.918046  0.463509  0.693092  1
  Ni  Ni214  1  0.459217  0.595550  0.637011  1
  Ni  Ni215  1  0.825404  0.204870  0.672571  1
  Ni  Ni216  1  0.356172  0.329294  0.617748  1
  Ni  Ni217  1  0.080674  0.405931  0.705987  1
  Ni  Ni218  1  0.619420  0.561419  0.653538  1
  Ni  Ni219  1  0.818582  0.286393  0.713542  1
  Ni  Ni220  1  0.347148  0.415437  0.661234  1
  Ni  Ni221  1  0.100964  0.342977  0.664724  1
  Ni  Ni222  1  0.630530  0.475407  0.610057  1
  Ni  Ni223  1  0.780402  0.945244  0.654027  1
  Ni  Ni224  1  0.246181  0.803994  0.707930  1
  Ni  Ni225  1  0.196382  0.946308  0.617526  1
  Ni  Ni226  1  0.667322  0.825303  0.672943  1
  Ni  Ni227  1  0.081595  0.867116  0.690135  1
  Ni  Ni228  1  0.617122  0.991811  0.634666  1
  Ni  Ni229  1  0.833197  0.770764  0.690805  1
  Ni  Ni230  1  0.359849  0.896734  0.636694  1
  Ni  Ni231  1  0.099633  0.248975  0.618182  1
  Ni  Ni232  1  0.566007  0.125169  0.673410  1
