# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.46467052
_cell_length_b   11.25896311
_cell_length_c   46.85627448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.42081254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7080.65399757
_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  0.336832  0.735053  0.367975  1
  Zr  Zr2  1  0.924347  0.548851  0.319787  1
  Zr  Zr3  1  0.648282  0.247736  0.363270  1
  Zr  Zr4  1  0.262209  0.970679  0.303469  1
  Zr  Zr5  1  0.283635  0.138106  0.384225  1
  Zr  Zr6  1  0.873725  0.951177  0.323500  1
  Zr  Zr7  1  0.708700  0.850079  0.350721  1
  Zr  Zr8  1  0.344105  0.588481  0.290358  1
  Zr  Zr9  1  0.565225  0.620098  0.384195  1
  Zr  Zr10  1  0.183112  0.344128  0.323232  1
  Zr  Zr11  1  0.423868  0.370648  0.345261  1
  Zr  Zr12  1  0.015312  0.171401  0.301040  1
  Zr  Zr13  1  0.683751  0.546885  0.300182  1
  Zr  Zr14  1  0.096169  0.705859  0.348149  1
  Zr  Zr15  1  0.505588  0.994521  0.320898  1
  Zr  Zr16  1  0.888350  0.269508  0.384457  1
  Zr  Zr17  1  0.133866  0.192513  0.475992  1
  Zr  Zr18  1  0.716323  0.016866  0.429096  1
  Zr  Zr19  1  0.444107  0.709020  0.472728  1
  Zr  Zr20  1  0.062899  0.426189  0.410711  1
  Zr  Zr21  1  0.079785  0.596405  0.493448  1
  Zr  Zr22  1  0.668468  0.421982  0.446306  1
  Zr  Zr23  1  0.498166  0.307170  0.455025  1
  Zr  Zr24  1  0.107286  0.024803  0.392368  1
  Zr  Zr25  1  0.356246  0.076968  0.493854  1
  Zr  Zr26  1  0.972447  0.802185  0.430530  1
  Zr  Zr27  1  0.220548  0.825321  0.454732  1
  Zr  Zr28  1  0.807038  0.638119  0.409179  1
  Zr  Zr29  1  0.476102  0.987261  0.408535  1
  Zr  Zr30  1  0.888392  0.164184  0.454224  1
  Zr  Zr31  1  0.305000  0.457528  0.430918  1
  Zr  Zr32  1  0.689667  0.737373  0.494723  1
  Zr  Zr33  1  0.933427  0.649567  0.584743  1
  Zr  Zr34  1  0.514067  0.473804  0.538083  1
  Zr  Zr35  1  0.241383  0.167127  0.580837  1
  Zr  Zr36  1  0.862098  0.885057  0.519692  1
  Zr  Zr37  1  0.877892  0.052997  0.602415  1
  Zr  Zr38  1  0.464907  0.878336  0.556015  1
  Zr  Zr39  1  0.293737  0.763584  0.564149  1
  Zr  Zr40  1  0.910708  0.479783  0.501523  1
  Zr  Zr41  1  0.156696  0.534526  0.603563  1
  Zr  Zr42  1  0.771375  0.260213  0.539102  1
  Zr  Zr43  1  0.018424  0.283068  0.563737  1
  Zr  Zr44  1  0.605584  0.099392  0.518418  1
  Zr  Zr45  1  0.272209  0.445506  0.517683  1
  Zr  Zr46  1  0.686765  0.620955  0.562525  1
  Zr  Zr47  1  0.102841  0.914869  0.540064  1
  Zr  Zr48  1  0.489987  0.193787  0.603157  1
  Zr  Zr49  1  0.728531  0.115128  0.691718  1
  Zr  Zr50  1  0.312849  0.932852  0.646255  1
  Zr  Zr51  1  0.044488  0.621692  0.689881  1
  Zr  Zr52  1  0.660965  0.342789  0.628465  1
  Zr  Zr53  1  0.637459  0.481747  0.708259  1
  Zr  Zr54  1  0.267114  0.345816  0.659863  1
  Zr  Zr55  1  0.095524  0.226913  0.673910  1
  Zr  Zr56  1  0.707711  0.935883  0.612087  1
  Zr  Zr57  1  0.945623  0.991144  0.710805  1
  Zr  Zr58  1  0.566015  0.723832  0.647375  1
  Zr  Zr59  1  0.816787  0.745541  0.671173  1
  Zr  Zr60  1  0.399757  0.559447  0.626554  1
  Zr  Zr61  1  0.071156  0.905533  0.627332  1
  Zr  Zr62  1  0.481955  0.080852  0.672008  1
  Zr  Zr63  1  0.900067  0.375744  0.650415  1
  Zr  Zr64  1  0.284862  0.664644  0.710930  1
  Ni  Ni65  1  0.786283  0.405054  0.340227  1
  Ni  Ni66  1  0.395708  0.118612  0.278522  1
  Ni  Ni67  1  0.853091  0.355157  0.291864  1
  Ni  Ni68  1  0.265641  0.544318  0.339688  1
  Ni  Ni69  1  0.337679  0.167307  0.326680  1
  Ni  Ni70  1  0.726559  0.443990  0.389557  1
  Ni  Ni71  1  0.622834  0.022545  0.375150  1
  Ni  Ni72  1  0.222464  0.755963  0.312592  1
  Ni  Ni73  1  0.356477  0.969142  0.354312  1
  Ni  Ni74  1  0.985820  0.759971  0.305265  1
  Ni  Ni75  1  0.450012  0.592437  0.335220  1
  Ni  Ni76  1  0.034609  0.396970  0.286860  1
  Ni  Ni77  1  0.551309  0.396453  0.398913  1
  Ni  Ni78  1  0.161297  0.114803  0.336842  1
  Ni  Ni79  1  0.516696  0.439476  0.298163  1
  Ni  Ni80  1  0.893472  0.722442  0.356593  1
  Ni  Ni81  1  0.740771  0.613273  0.353181  1
  Ni  Ni82  1  0.354379  0.337353  0.291819  1
  Ni  Ni83  1  0.246425  0.373246  0.376844  1
  Ni  Ni84  1  0.831510  0.194399  0.327395  1
  Ni  Ni85  1  0.663625  0.875132  0.296974  1
  Ni  Ni86  1  0.979570  0.103455  0.353950  1
  Ni  Ni87  1  0.582507  0.712623  0.326294  1
  Ni  Ni88  1  0.986107  0.882896  0.370880  1
  Ni  Ni89  1  0.472403  0.144671  0.364323  1
  Ni  Ni90  1  0.067025  0.941803  0.322521  1
  Ni  Ni91  1  0.509833  0.842989  0.364689  1
  Ni  Ni92  1  0.127704  0.573278  0.302115  1
  Ni  Ni93  1  0.798498  0.731042  0.308483  1
  Ni  Ni94  1  0.196078  0.900548  0.355556  1
  Ni  Ni95  1  0.403979  0.797242  0.318265  1
  Ni  Ni96  1  0.799509  0.063280  0.370492  1
  Ni  Ni97  1  0.516262  0.218771  0.312385  1
  Ni  Ni98  1  0.905581  0.497051  0.373869  1
  Ni  Ni99  1  0.672578  0.307843  0.307580  1
  Ni  Ni100  1  0.079533  0.482917  0.355099  1
  Ni  Ni101  1  0.389503  0.519721  0.385573  1
  Ni  Ni102  1  0.971123  0.332061  0.336556  1
  Ni  Ni103  1  0.604737  0.464855  0.345133  1
  Ni  Ni104  1  0.213104  0.187869  0.283804  1
  Ni  Ni105  1  0.681163  0.079372  0.324518  1
  Ni  Ni106  1  0.092079  0.260785  0.372138  1
  Ni  Ni107  1  0.579434  0.865676  0.451839  1
  Ni  Ni108  1  0.199502  0.579456  0.388908  1
  Ni  Ni109  1  0.646542  0.817730  0.402843  1
  Ni  Ni110  1  0.056727  0.996153  0.448388  1
  Ni  Ni111  1  0.131128  0.629075  0.438016  1
  Ni  Ni112  1  0.520173  0.906680  0.500549  1
  Ni  Ni113  1  0.426382  0.476475  0.484614  1
  Ni  Ni114  1  0.044060  0.199797  0.422330  1
  Ni  Ni115  1  0.151850  0.425695  0.464094  1
  Ni  Ni116  1  0.733105  0.242424  0.417306  1
  Ni  Ni117  1  0.229717  0.049385  0.440343  1
  Ni  Ni118  1  0.823908  0.867562  0.395395  1
  Ni  Ni119  1  0.347487  0.852972  0.508137  1
  Ni  Ni120  1  0.958641  0.569226  0.445127  1
  Ni  Ni121  1  0.302248  0.902378  0.405449  1
  Ni  Ni122  1  0.683424  0.181950  0.468101  1
  Ni  Ni123  1  0.532046  0.072970  0.463823  1
  Ni  Ni124  1  0.148539  0.791290  0.401584  1
  Ni  Ni125  1  0.045068  0.830089  0.485019  1
  Ni  Ni126  1  0.627892  0.656736  0.439056  1
  Ni  Ni127  1  0.406206  0.293880  0.401215  1
  Ni  Ni128  1  0.783463  0.569175  0.465800  1
  Ni  Ni129  1  0.374582  0.151532  0.438400  1
  Ni  Ni130  1  0.794757  0.331670  0.482617  1
  Ni  Ni131  1  0.270915  0.599928  0.474672  1
  Ni  Ni132  1  0.855173  0.405730  0.430846  1
  Ni  Ni133  1  0.307336  0.302457  0.473893  1
  Ni  Ni134  1  0.921114  0.035154  0.408828  1
  Ni  Ni135  1  0.563590  0.181114  0.413830  1
  Ni  Ni136  1  0.989509  0.355072  0.462376  1
  Ni  Ni137  1  0.213618  0.263926  0.426145  1
  Ni  Ni138  1  0.589407  0.545927  0.486505  1
  Ni  Ni139  1  0.314757  0.677752  0.423043  1
  Ni  Ni140  1  0.701341  0.960170  0.484209  1
  Ni  Ni141  1  0.463864  0.766961  0.417592  1
  Ni  Ni142  1  0.875752  0.941374  0.464565  1
  Ni  Ni143  1  0.184879  0.976839  0.493665  1
  Ni  Ni144  1  0.765942  0.796098  0.447192  1
  Ni  Ni145  1  0.392274  0.925367  0.454940  1
  Ni  Ni146  1  0.011570  0.644592  0.393193  1
  Ni  Ni147  1  0.477711  0.544617  0.434237  1
  Ni  Ni148  1  0.894173  0.719490  0.481082  1
  Ni  Ni149  1  0.379739  0.320871  0.558997  1
  Ni  Ni150  1  0.997543  0.037147  0.497414  1
  Ni  Ni151  1  0.446813  0.272055  0.510189  1
  Ni  Ni152  1  0.855104  0.453853  0.557829  1
  Ni  Ni153  1  0.930058  0.086492  0.547150  1
  Ni  Ni154  1  0.320030  0.360340  0.606540  1
  Ni  Ni155  1  0.223289  0.935069  0.593465  1
  Ni  Ni156  1  0.844491  0.656827  0.531066  1
  Ni  Ni157  1  0.949928  0.883663  0.573035  1
  Ni  Ni158  1  0.532122  0.702046  0.526348  1
  Ni  Ni159  1  0.027263  0.506209  0.549117  1
  Ni  Ni160  1  0.619016  0.331995  0.503527  1
  Ni  Ni161  1  0.143388  0.309372  0.616015  1
  Ni  Ni162  1  0.757766  0.027315  0.553963  1
  Ni  Ni163  1  0.100901  0.357484  0.514015  1
  Ni  Ni164  1  0.481460  0.639633  0.576236  1
  Ni  Ni165  1  0.330933  0.529428  0.571898  1
  Ni  Ni166  1  0.949443  0.245600  0.510089  1
  Ni  Ni167  1  0.843579  0.287039  0.594026  1
  Ni  Ni168  1  0.427343  0.112504  0.547167  1
  Ni  Ni169  1  0.203252  0.750560  0.510232  1
  Ni  Ni170  1  0.582675  0.026222  0.574605  1
  Ni  Ni171  1  0.171224  0.608939  0.547689  1
  Ni  Ni172  1  0.594267  0.789682  0.590938  1
  Ni  Ni173  1  0.068536  0.059544  0.583791  1
  Ni  Ni174  1  0.652246  0.866900  0.540221  1
  Ni  Ni175  1  0.103928  0.760342  0.583647  1
  Ni  Ni176  1  0.724698  0.492118  0.517142  1
  Ni  Ni177  1  0.364337  0.638028  0.522596  1
  Ni  Ni178  1  0.786984  0.813400  0.571201  1
  Ni  Ni179  1  0.011996  0.722142  0.535027  1
  Ni  Ni180  1  0.386383  0.006178  0.594624  1
  Ni  Ni181  1  0.113535  0.134563  0.531387  1
  Ni  Ni182  1  0.499946  0.418145  0.592943  1
  Ni  Ni183  1  0.261966  0.225051  0.525687  1
  Ni  Ni184  1  0.675047  0.398889  0.573478  1
  Ni  Ni185  1  0.982281  0.434659  0.603234  1
  Ni  Ni186  1  0.565236  0.255113  0.555656  1
  Ni  Ni187  1  0.189894  0.383307  0.563445  1
  Ni  Ni188  1  0.812169  0.103621  0.501811  1
  Ni  Ni189  1  0.274802  1.001594  0.543306  1
  Ni  Ni190  1  0.693336  0.176018  0.589713  1
  Ni  Ni191  1  0.176501  0.785062  0.670272  1
  Ni  Ni192  1  0.796159  0.493025  0.607219  1
  Ni  Ni193  1  0.242020  0.734002  0.620500  1
  Ni  Ni194  1  0.644616  0.915733  0.669990  1
  Ni  Ni195  1  0.722543  0.547981  0.657308  1
  Ni  Ni196  1  0.106289  0.824780  0.717351  1
  Ni  Ni197  1  0.002761  0.401769  0.701346  1
  Ni  Ni198  1  0.641130  0.116806  0.641517  1
  Ni  Ni199  1  0.750778  0.341827  0.681103  1
  Ni  Ni200  1  0.333089  0.159562  0.635151  1
  Ni  Ni201  1  0.825654  0.964573  0.659864  1
  Ni  Ni202  1  0.415596  0.791256  0.611250  1
  Ni  Ni203  1  0.920785  0.759036  0.720547  1
  Ni  Ni204  1  0.551110  0.491045  0.660528  1
  Ni  Ni205  1  0.899792  0.814631  0.622696  1
  Ni  Ni206  1  0.280173  0.107193  0.683833  1
  Ni  Ni207  1  0.127578  0.991570  0.681666  1
  Ni  Ni208  1  0.748905  0.700016  0.618012  1
  Ni  Ni209  1  0.656716  0.711677  0.698484  1
  Ni  Ni210  1  0.225162  0.579094  0.658936  1
  Ni  Ni211  1  -0.000360  0.209249  0.620417  1
  Ni  Ni212  1  0.388882  0.485363  0.683895  1
  Ni  Ni213  1  0.969924  0.069046  0.657587  1
  Ni  Ni214  1  0.394873  0.267055  0.697249  1
  Ni  Ni215  1  0.841080  0.528936  0.696915  1
  Ni  Ni216  1  0.452387  0.325643  0.646422  1
  Ni  Ni217  1  0.903527  0.215883  0.692920  1
  Ni  Ni218  1  0.521457  0.952642  0.626110  1
  Ni  Ni219  1  0.162853  0.098616  0.631901  1
  Ni  Ni220  1  0.578339  0.281084  0.680202  1
  Ni  Ni221  1  0.811457  0.180278  0.643827  1
  Ni  Ni222  1  0.190989  0.450093  0.702770  1
  Ni  Ni223  1  0.911879  0.591276  0.641339  1
  Ni  Ni224  1  0.292621  0.893330  0.702096  1
  Ni  Ni225  1  0.060071  0.683661  0.635976  1
  Ni  Ni226  1  0.472610  0.855814  0.687903  1
  Ni  Ni227  1  0.763842  0.893058  0.711928  1
  Ni  Ni228  1  0.361865  0.719541  0.664218  1
  Ni  Ni229  1  0.987861  0.840707  0.673114  1
  Ni  Ni230  1  0.609530  0.563104  0.610224  1
  Ni  Ni231  1  0.075776  0.457812  0.652351  1
  Ni  Ni232  1  0.486025  0.642515  0.697611  1
