# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55269013
_cell_length_b   15.68017443
_cell_length_c   52.90942080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.48807106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5431.17651483
_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  0.208405  0.878356  0.320526  1
  Zr  Zr2  1  0.469540  0.469023  0.391937  1
  Zr  Zr3  1  0.064577  0.403836  0.319103  1
  Zr  Zr4  1  0.321300  0.990063  0.389238  1
  Zr  Zr5  1  0.223861  0.718047  0.410176  1
  Zr  Zr6  1  0.963551  0.129433  0.339837  1
  Zr  Zr7  1  0.565199  0.743864  0.370028  1
  Zr  Zr8  1  0.315524  0.155608  0.301299  1
  Zr  Zr9  1  0.876190  0.673975  0.320978  1
  Zr  Zr10  1  0.143448  0.261013  0.391305  1
  Zr  Zr11  1  0.388403  0.612202  0.320617  1
  Zr  Zr12  1  0.650342  0.201262  0.390261  1
  Zr  Zr13  1  0.964493  0.534408  0.391747  1
  Zr  Zr14  1  0.703213  0.945058  0.319078  1
  Zr  Zr15  1  0.823340  0.926487  0.389759  1
  Zr  Zr16  1  0.574304  0.340426  0.317139  1
  Zr  Zr17  1  0.727405  0.058768  0.463387  1
  Zr  Zr18  1  0.986415  0.648498  0.534889  1
  Zr  Zr19  1  0.580326  0.580922  0.461031  1
  Zr  Zr20  1  0.839605  0.170591  0.532528  1
  Zr  Zr21  1  0.740004  0.897138  0.553292  1
  Zr  Zr22  1  0.482821  0.307130  0.481565  1
  Zr  Zr23  1  0.084070  0.922244  0.514360  1
  Zr  Zr24  1  0.826888  0.332239  0.442637  1
  Zr  Zr25  1  0.400212  0.850215  0.462510  1
  Zr  Zr26  1  0.659837  0.439319  0.534218  1
  Zr  Zr27  1  0.906950  0.790019  0.461713  1
  Zr  Zr28  1  0.166510  0.379172  0.533420  1
  Zr  Zr29  1  0.483142  0.712910  0.534454  1
  Zr  Zr30  1  0.224261  0.123065  0.462820  1
  Zr  Zr31  1  0.342754  0.106328  0.533101  1
  Zr  Zr32  1  0.083624  0.516466  0.461489  1
  Zr  Zr33  1  0.245755  0.239569  0.606692  1
  Zr  Zr34  1  0.502341  0.826682  0.676762  1
  Zr  Zr35  1  0.097337  0.759941  0.604061  1
  Zr  Zr36  1  0.357502  0.349916  0.676646  1
  Zr  Zr37  1  0.254540  0.072462  0.694691  1
  Zr  Zr38  1  0.999044  0.485411  0.625709  1
  Zr  Zr39  1  0.604596  0.099752  0.655956  1
  Zr  Zr40  1  0.342406  0.511147  0.585909  1
  Zr  Zr41  1  0.917143  0.028289  0.605639  1
  Zr  Zr42  1  0.177946  0.617746  0.675308  1
  Zr  Zr43  1  0.423579  0.968577  0.604567  1
  Zr  Zr44  1  0.684104  0.556358  0.674877  1
  Zr  Zr45  1  0.992232  0.889436  0.678783  1
  Zr  Zr46  1  0.743159  0.302985  0.606220  1
  Zr  Zr47  1  0.864918  0.284303  0.677715  1
  Zr  Zr48  1  0.602117  0.694900  0.604158  1
  Ni  Ni49  1  0.766530  0.437484  0.353969  1
  Ni  Ni50  1  0.024333  0.024363  0.426429  1
  Ni  Ni51  1  0.543119  0.779669  0.319460  1
  Ni  Ni52  1  0.808827  0.364989  0.394445  1
  Ni  Ni53  1  0.725730  0.511387  0.313647  1
  Ni  Ni54  1  0.982877  0.095755  0.386624  1
  Ni  Ni55  1  0.497795  0.894755  0.356234  1
  Ni  Ni56  1  0.246953  0.309903  0.287504  1
  Ni  Ni57  1  0.293364  0.565963  0.424002  1
  Ni  Ni58  1  0.028500  0.975825  0.351662  1
  Ni  Ni59  1  0.214633  0.732538  0.343837  1
  Ni  Ni60  1  0.476407  0.322397  0.416078  1
  Ni  Ni61  1  0.073697  0.558858  0.294443  1
  Ni  Ni62  1  0.316766  0.139915  0.365356  1
  Ni  Ni63  1  0.308243  0.605135  0.372712  1
  Ni  Ni64  1  0.046235  0.021775  0.303189  1
  Ni  Ni65  1  0.668689  0.583704  0.356932  1
  Ni  Ni66  1  0.401835  0.994300  0.287752  1
  Ni  Ni67  1  0.121423  0.875685  0.424417  1
  Ni  Ni68  1  0.865597  0.289071  0.352555  1
  Ni  Ni69  1  0.839598  0.774888  0.408577  1
  Ni  Ni70  1  0.583017  0.190283  0.337479  1
  Ni  Ni71  1  0.948624  0.686350  0.372737  1
  Ni  Ni72  1  0.686307  0.098298  0.302877  1
  Ni  Ni73  1  0.385723  0.466090  0.292711  1
  Ni  Ni74  1  0.654212  0.050816  0.362342  1
  Ni  Ni75  1  0.872345  0.821557  0.345991  1
  Ni  Ni76  1  0.135521  0.410441  0.418611  1
  Ni  Ni77  1  0.626481  0.624817  0.404109  1
  Ni  Ni78  1  0.366338  0.034443  0.333059  1
  Ni  Ni79  1  0.161040  0.837071  0.376785  1
  Ni  Ni80  1  0.913758  0.240269  0.306473  1
  Ni  Ni81  1  0.400910  0.467947  0.341347  1
  Ni  Ni82  1  0.656791  0.058302  0.413397  1
  Ni  Ni83  1  0.885442  0.818856  0.296298  1
  Ni  Ni84  1  0.133594  0.404392  0.368038  1
  Ni  Ni85  1  0.204223  0.728593  0.294970  1
  Ni  Ni86  1  0.488385  0.326999  0.365754  1
  Ni  Ni87  1  0.046047  0.548592  0.342992  1
  Ni  Ni88  1  0.304811  0.134919  0.414899  1
  Ni  Ni89  1  0.481383  0.854659  0.408984  1
  Ni  Ni90  1  0.228752  0.268485  0.337113  1
  Ni  Ni91  1  0.283385  0.614656  0.497990  1
  Ni  Ni92  1  0.542656  0.205134  0.569501  1
  Ni  Ni93  1  0.067396  0.953180  0.466317  1
  Ni  Ni94  1  0.326867  0.542756  0.537897  1
  Ni  Ni95  1  0.239935  0.686509  0.458076  1
  Ni  Ni96  1  0.499401  0.276221  0.529609  1
  Ni  Ni97  1  0.015051  0.073964  0.500487  1
  Ni  Ni98  1  0.755657  0.484148  0.429163  1
  Ni  Ni99  1  0.811330  0.745216  0.566781  1
  Ni  Ni100  1  0.551969  0.155431  0.495431  1
  Ni  Ni101  1  0.733726  0.911676  0.487526  1
  Ni  Ni102  1  0.993166  0.501263  0.558810  1
  Ni  Ni103  1  0.573596  0.728302  0.437115  1
  Ni  Ni104  1  0.833084  0.317679  0.508382  1
  Ni  Ni105  1  0.826148  0.784398  0.515277  1
  Ni  Ni106  1  0.567654  0.194451  0.443650  1
  Ni  Ni107  1  0.185578  0.763983  0.499723  1
  Ni  Ni108  1  0.928072  0.173785  0.428202  1
  Ni  Ni109  1  0.639017  0.055697  0.567704  1
  Ni  Ni110  1  0.381214  0.465379  0.496214  1
  Ni  Ni111  1  0.359314  0.954258  0.551608  1
  Ni  Ni112  1  0.101104  0.364765  0.480203  1
  Ni  Ni113  1  0.465802  0.864602  0.515718  1
  Ni  Ni114  1  0.207628  0.275084  0.444320  1
  Ni  Ni115  1  0.913322  0.640285  0.434299  1
  Ni  Ni116  1  0.173084  0.229559  0.505793  1
  Ni  Ni117  1  0.393856  0.999840  0.490133  1
  Ni  Ni118  1  0.653135  0.589155  0.561617  1
  Ni  Ni119  1  0.145661  0.802725  0.547079  1
  Ni  Ni120  1  0.886707  0.213114  0.475555  1
  Ni  Ni121  1  0.680365  0.016247  0.520364  1
  Ni  Ni122  1  0.421194  0.426625  0.448848  1
  Ni  Ni123  1  0.915443  0.647944  0.485042  1
  Ni  Ni124  1  0.174813  0.237754  0.556736  1
  Ni  Ni125  1  0.392183  0.991715  0.439203  1
  Ni  Ni126  1  0.651276  0.581395  0.510899  1
  Ni  Ni127  1  0.744436  0.914440  0.437760  1
  Ni  Ni128  1  0.004182  0.504039  0.509389  1
  Ni  Ni129  1  0.562603  0.725310  0.486554  1
  Ni  Ni130  1  0.822164  0.314899  0.558141  1
  Ni  Ni131  1  0.999540  0.034861  0.552293  1
  Ni  Ni132  1  0.740632  0.445001  0.480659  1
  Ni  Ni133  1  0.800568  0.791929  0.641910  1
  Ni  Ni134  1  0.066405  0.379268  0.714940  1
  Ni  Ni135  1  0.584637  0.133838  0.609282  1
  Ni  Ni136  1  0.840456  0.718415  0.682248  1
  Ni  Ni137  1  0.758153  0.864387  0.601445  1
  Ni  Ni138  1  0.019608  0.452744  0.675161  1
  Ni  Ni139  1  0.537628  0.253245  0.644417  1
  Ni  Ni140  1  0.273193  0.663279  0.571914  1
  Ni  Ni141  1  0.319984  0.918975  0.708628  1
  Ni  Ni142  1  0.069713  0.334524  0.639944  1
  Ni  Ni143  1  0.250980  0.090234  0.630547  1
  Ni  Ni144  1  0.492175  0.672472  0.701443  1
  Ni  Ni145  1  0.090553  0.906749  0.579861  1
  Ni  Ni146  1  0.349793  0.495701  0.652154  1
  Ni  Ni147  1  0.338148  0.961092  0.658648  1
  Ni  Ni148  1  0.084907  0.374659  0.586891  1
  Ni  Ni149  1  0.701882  0.940493  0.643280  1
  Ni  Ni150  1  0.445235  0.353737  0.571550  1
  Ni  Ni151  1  0.167405  0.230458  0.709587  1
  Ni  Ni152  1  0.897033  0.645256  0.639112  1
  Ni  Ni153  1  0.881343  0.128533  0.693349  1
  Ni  Ni154  1  0.616740  0.542505  0.623291  1
  Ni  Ni155  1  0.985133  0.039149  0.658314  1
  Ni  Ni156  1  0.726768  0.454585  0.587244  1
  Ni  Ni157  1  0.431235  0.818878  0.577326  1
  Ni  Ni158  1  0.691752  0.407336  0.650335  1
  Ni  Ni159  1  0.913252  0.178958  0.633632  1
  Ni  Ni160  1  0.179710  0.763677  0.703212  1
  Ni  Ni161  1  0.651986  0.988936  0.689430  1
  Ni  Ni162  1  0.405273  0.391889  0.619256  1
  Ni  Ni163  1  0.200047  0.194325  0.663257  1
  Ni  Ni164  1  0.940018  0.604628  0.591838  1
  Ni  Ni165  1  0.433125  0.825364  0.627835  1
  Ni  Ni166  1  0.693344  0.413751  0.700951  1
  Ni  Ni167  1  0.910250  0.171275  0.582523  1
  Ni  Ni168  1  0.165493  0.761791  0.654612  1
  Ni  Ni169  1  0.262303  0.094756  0.581021  1
  Ni  Ni170  1  0.519701  0.682271  0.652790  1
  Ni  Ni171  1  0.078616  0.902279  0.630115  1
  Ni  Ni172  1  0.350095  0.495511  0.701792  1
  Ni  Ni173  1  0.521896  0.204916  0.692857  1
  Ni  Ni174  1  0.258293  0.623644  0.623372  1
