# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85562764
_cell_length_b   12.64837090
_cell_length_c   47.26739419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.79922286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5029.49628489
_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  0.882573  0.134985  0.301767  1
  Zr  Zr2  1  0.980489  0.754761  0.326320  1
  Zr  Zr3  1  0.275158  0.454332  0.295438  1
  Zr  Zr4  1  0.570649  0.432037  0.335721  1
  Zr  Zr5  1  0.525951  0.023550  0.326786  1
  Zr  Zr6  1  0.344171  0.847044  0.303930  1
  Zr  Zr7  1  0.075894  0.300789  0.326164  1
  Zr  Zr8  1  0.780151  0.587650  0.303386  1
  Zr  Zr9  1  0.118191  0.471272  0.379019  1
  Zr  Zr10  1  0.223630  0.091459  0.403655  1
  Zr  Zr11  1  0.526861  0.791920  0.370872  1
  Zr  Zr12  1  0.813000  0.771060  0.412034  1
  Zr  Zr13  1  0.764193  0.367723  0.403365  1
  Zr  Zr14  1  0.578081  0.194035  0.380014  1
  Zr  Zr15  1  0.315175  0.640684  0.402647  1
  Zr  Zr16  1  0.023747  0.923140  0.379943  1
  Zr  Zr17  1  0.357577  0.811260  0.456040  1
  Zr  Zr18  1  0.464205  0.429739  0.480857  1
  Zr  Zr19  1  0.768907  0.130901  0.447794  1
  Zr  Zr20  1  0.052953  0.110070  0.488861  1
  Zr  Zr21  1  0.004371  0.707077  0.480414  1
  Zr  Zr22  1  0.817664  0.533846  0.456503  1
  Zr  Zr23  1  0.556425  0.979217  0.479899  1
  Zr  Zr24  1  0.265400  0.261564  0.457040  1
  Zr  Zr25  1  0.598090  0.150006  0.533087  1
  Zr  Zr26  1  0.704567  0.768557  0.558045  1
  Zr  Zr27  1  0.009352  0.469705  0.525102  1
  Zr  Zr28  1  0.293403  0.448870  0.566199  1
  Zr  Zr29  1  0.244823  0.045754  0.557501  1
  Zr  Zr30  1  0.058108  0.872540  0.533644  1
  Zr  Zr31  1  0.796698  0.318300  0.556810  1
  Zr  Zr32  1  0.505888  0.600533  0.534129  1
  Zr  Zr33  1  0.839086  0.488127  0.610342  1
  Zr  Zr34  1  0.943528  0.109193  0.634770  1
  Zr  Zr35  1  0.249577  0.808486  0.602092  1
  Zr  Zr36  1  0.534201  0.787143  0.643854  1
  Zr  Zr37  1  0.484994  0.385198  0.633953  1
  Zr  Zr38  1  0.298543  0.211933  0.610550  1
  Zr  Zr39  1  0.039036  0.656747  0.633924  1
  Zr  Zr40  1  0.746010  0.939084  0.611374  1
  Zr  Zr41  1  0.079479  0.824474  0.687003  1
  Zr  Zr42  1  0.180063  0.446218  0.712214  1
  Zr  Zr43  1  0.493406  0.148593  0.678274  1
  Zr  Zr44  1  0.794550  0.122430  0.719221  1
  Zr  Zr45  1  0.718241  0.732168  0.709695  1
  Zr  Zr46  1  0.536691  0.556423  0.686955  1
  Zr  Zr47  1  0.278316  0.999858  0.709174  1
  Zr  Zr48  1  0.988915  0.277828  0.688085  1
  Ni  Ni49  1  0.792045  0.789524  0.276209  1
  Ni  Ni50  1  0.808702  0.263375  0.350885  1
  Ni  Ni51  1  0.036639  0.631680  0.278619  1
  Ni  Ni52  1  0.798844  0.367055  0.302342  1
  Ni  Ni53  1  0.045974  0.532742  0.328218  1
  Ni  Ni54  1  0.598196  0.213593  0.325305  1
  Ni  Ni55  1  0.264122  0.664945  0.303349  1
  Ni  Ni56  1  0.338332  0.345849  0.344750  1
  Ni  Ni57  1  0.216802  0.077619  0.308216  1
  Ni  Ni58  1  0.648390  0.801774  0.319504  1
  Ni  Ni59  1  0.510486  0.653352  0.330252  1
  Ni  Ni60  1  0.357120  0.225369  0.300888  1
  Ni  Ni61  1  0.251670  0.770443  0.352009  1
  Ni  Ni62  1  0.618006  0.108161  0.280200  1
  Ni  Ni63  1  0.293048  0.566499  0.348168  1
  Ni  Ni64  1  0.570491  0.316979  0.283346  1
  Ni  Ni65  1  0.065066  0.942517  0.324187  1
  Ni  Ni66  1  0.802736  0.947027  0.306973  1
  Ni  Ni67  1  0.801901  0.057811  0.349930  1
  Ni  Ni68  1  0.055022  0.837492  0.280913  1
  Ni  Ni69  1  0.527148  0.529787  0.286163  1
  Ni  Ni70  1  0.053322  0.112671  0.351821  1
  Ni  Ni71  1  0.045952  0.602452  0.428859  1
  Ni  Ni72  1  0.295765  0.959883  0.353544  1
  Ni  Ni73  1  0.046824  0.694754  0.378286  1
  Ni  Ni74  1  0.292683  0.867723  0.404155  1
  Ni  Ni75  1  0.834418  0.558174  0.400881  1
  Ni  Ni76  1  0.506649  0.004636  0.381972  1
  Ni  Ni77  1  0.577948  0.684868  0.422336  1
  Ni  Ni78  1  0.450684  0.421047  0.386887  1
  Ni  Ni79  1  0.890360  0.142436  0.395655  1
  Ni  Ni80  1  0.753106  0.995331  0.406477  1
  Ni  Ni81  1  0.588701  0.567414  0.376849  1
  Ni  Ni82  1  0.494289  0.109197  0.429863  1
  Ni  Ni83  1  0.844958  0.454595  0.352832  1
  Ni  Ni84  1  0.536378  0.905072  0.426210  1
  Ni  Ni85  1  0.802071  0.658131  0.356679  1
  Ni  Ni86  1  0.300716  0.280129  0.400154  1
  Ni  Ni87  1  0.041276  0.282750  0.381775  1
  Ni  Ni88  1  0.040169  0.395095  0.427292  1
  Ni  Ni89  1  0.303342  0.166111  0.354614  1
  Ni  Ni90  1  0.761956  0.879384  0.360525  1
  Ni  Ni91  1  0.290021  0.451044  0.430078  1
  Ni  Ni92  1  0.286103  0.941345  0.505927  1
  Ni  Ni93  1  0.534957  0.299855  0.431182  1
  Ni  Ni94  1  0.287755  0.034780  0.455609  1
  Ni  Ni95  1  0.533954  0.205792  0.481254  1
  Ni  Ni96  1  0.073351  0.897522  0.477989  1
  Ni  Ni97  1  0.748828  0.343469  0.458919  1
  Ni  Ni98  1  0.818051  0.023854  0.499249  1
  Ni  Ni99  1  0.693175  0.759644  0.463758  1
  Ni  Ni100  1  0.128470  0.481368  0.473285  1
  Ni  Ni101  1  0.993900  0.334021  0.483563  1
  Ni  Ni102  1  0.828051  0.906910  0.453404  1
  Ni  Ni103  1  0.735021  0.448287  0.506714  1
  Ni  Ni104  1  0.086755  0.792737  0.430193  1
  Ni  Ni105  1  0.776745  0.244089  0.503186  1
  Ni  Ni106  1  0.044882  0.996800  0.433624  1
  Ni  Ni107  1  0.541298  0.619481  0.477469  1
  Ni  Ni108  1  0.280726  0.621580  0.459421  1
  Ni  Ni109  1  0.280522  0.734427  0.504381  1
  Ni  Ni110  1  0.541033  0.506580  0.432548  1
  Ni  Ni111  1  0.004005  0.216702  0.437567  1
  Ni  Ni112  1  0.531045  0.789889  0.507049  1
  Ni  Ni113  1  0.527408  0.279805  0.582733  1
  Ni  Ni114  1  0.776090  0.638436  0.508137  1
  Ni  Ni115  1  0.528015  0.373953  0.532664  1
  Ni  Ni116  1  0.774478  0.544971  0.558403  1
  Ni  Ni117  1  0.313590  0.236226  0.555017  1
  Ni  Ni118  1  0.989000  0.682279  0.536049  1
  Ni  Ni119  1  0.058376  0.363136  0.576390  1
  Ni  Ni120  1  0.933941  0.098312  0.540666  1
  Ni  Ni121  1  0.369205  0.820076  0.550377  1
  Ni  Ni122  1  0.234238  0.672682  0.560738  1
  Ni  Ni123  1  0.068450  0.245575  0.530476  1
  Ni  Ni124  1  0.975186  0.787219  0.583865  1
  Ni  Ni125  1  0.327152  0.131476  0.507244  1
  Ni  Ni126  1  0.017031  0.583045  0.580356  1
  Ni  Ni127  1  0.285343  0.335588  0.510737  1
  Ni  Ni128  1  0.781723  0.958194  0.554524  1
  Ni  Ni129  1  0.521053  0.960231  0.536536  1
  Ni  Ni130  1  0.521379  0.072848  0.581395  1
  Ni  Ni131  1  0.781798  0.845277  0.509670  1
  Ni  Ni132  1  0.244428  0.555776  0.514760  1
  Ni  Ni133  1  0.772225  0.128661  0.583867  1
  Ni  Ni134  1  0.768134  0.618722  0.660181  1
  Ni  Ni135  1  0.016248  0.977295  0.585118  1
  Ni  Ni136  1  0.768669  0.712532  0.609993  1
  Ni  Ni137  1  0.014635  0.885966  0.635696  1
  Ni  Ni138  1  0.556511  0.574349  0.631968  1
  Ni  Ni139  1  0.227698  0.021502  0.613160  1
  Ni  Ni140  1  0.301404  0.700790  0.654071  1
  Ni  Ni141  1  0.172267  0.437499  0.618301  1
  Ni  Ni142  1  0.611822  0.158755  0.627080  1
  Ni  Ni143  1  0.473149  0.011864  0.637689  1
  Ni  Ni144  1  0.309793  0.584545  0.607767  1
  Ni  Ni145  1  0.217262  0.126182  0.660858  1
  Ni  Ni146  1  0.567869  0.470657  0.584082  1
  Ni  Ni147  1  0.260299  0.920976  0.657438  1
  Ni  Ni148  1  0.526097  0.674738  0.587918  1
  Ni  Ni149  1  0.021474  0.296882  0.632244  1
  Ni  Ni150  1  0.761688  0.300096  0.613531  1
  Ni  Ni151  1  0.760018  0.412499  0.659390  1
  Ni  Ni152  1  0.022299  0.184767  0.586584  1
  Ni  Ni153  1  0.484159  0.894559  0.592014  1
  Ni  Ni154  1  0.009829  0.466556  0.662174  1
  Ni  Ni155  1  0.041099  0.938378  0.733371  1
  Ni  Ni156  1  0.254162  0.317091  0.662915  1
  Ni  Ni157  1  0.015395  0.045154  0.684968  1
  Ni  Ni158  1  0.266781  0.216141  0.711696  1
  Ni  Ni159  1  0.799781  0.914305  0.710683  1
  Ni  Ni160  1  0.464691  0.365974  0.688656  1
  Ni  Ni161  1  0.536530  0.049920  0.727697  1
  Ni  Ni162  1  0.401912  0.782580  0.697249  1
  Ni  Ni163  1  0.845867  0.502391  0.705700  1
  Ni  Ni164  1  0.706955  0.353837  0.712876  1
  Ni  Ni165  1  0.550628  0.925250  0.684219  1
  Ni  Ni166  1  0.446828  0.470355  0.733637  1
  Ni  Ni167  1  0.810000  0.809283  0.661852  1
  Ni  Ni168  1  0.497999  0.261526  0.730646  1
  Ni  Ni169  1  0.767838  0.012690  0.665853  1
  Ni  Ni170  1  0.258778  0.633837  0.707737  1
  Ni  Ni171  1  -0.002073  0.637159  0.689413  1
  Ni  Ni172  1  0.001631  0.738923  0.732918  1
  Ni  Ni173  1  0.261042  0.522691  0.664223  1
  Ni  Ni174  1  0.726403  0.232282  0.669579  1
