# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72821317
_cell_length_b   8.86901633
_cell_length_c   48.47764300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.39645575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3539.69611893
_cell_formula_units_Z   4
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  0.306969  0.885866  0.304164  1
  Zr  Zr2  1  0.680086  0.064055  0.377385  1
  Zr  Zr3  1  0.883394  0.572448  0.349972  1
  Zr  Zr4  1  0.085044  0.377202  0.327523  1
  Zr  Zr5  1  0.508905  0.344012  0.314165  1
  Zr  Zr6  1  0.492012  0.614317  0.363994  1
  Zr  Zr7  1  0.145546  0.954868  0.363249  1
  Zr  Zr8  1  0.840474  0.989277  0.314824  1
  Zr  Zr9  1  0.138057  0.232613  0.411078  1
  Zr  Zr10  1  0.523370  0.407647  0.488309  1
  Zr  Zr11  1  0.731048  0.919091  0.459392  1
  Zr  Zr12  1  0.929934  0.718449  0.440870  1
  Zr  Zr13  1  0.330429  0.681169  0.424503  1
  Zr  Zr14  1  0.330678  0.956654  0.475012  1
  Zr  Zr15  1  0.995724  0.297600  0.474666  1
  Zr  Zr16  1  0.665675  0.339035  0.425585  1
  Zr  Zr17  1  0.983079  0.571931  0.522729  1
  Zr  Zr18  1  0.368088  0.747422  0.599792  1
  Zr  Zr19  1  0.576355  0.261110  0.570179  1
  Zr  Zr20  1  0.775552  0.060404  0.551644  1
  Zr  Zr21  1  0.175719  0.022936  0.536027  1
  Zr  Zr22  1  0.176074  0.298269  0.586328  1
  Zr  Zr23  1  0.840562  0.640388  0.585475  1
  Zr  Zr24  1  0.510860  0.682184  0.536290  1
  Zr  Zr25  1  0.826978  0.915280  0.633670  1
  Zr  Zr26  1  0.199014  0.094386  0.706377  1
  Zr  Zr27  1  0.419864  0.603463  0.683268  1
  Zr  Zr28  1  0.622854  0.405270  0.661430  1
  Zr  Zr29  1  0.014863  0.365543  0.647086  1
  Zr  Zr30  1  0.997610  0.636116  0.696831  1
  Zr  Zr31  1  0.664573  0.987103  0.695239  1
  Zr  Zr32  1  0.361724  0.024856  0.647936  1
  Ni  Ni33  1  0.564992  0.818577  0.284313  1
  Ni  Ni34  1  0.302594  0.295856  0.358376  1
  Ni  Ni35  1  0.678413  0.667736  0.317298  1
  Ni  Ni36  1  0.982243  0.148967  0.362153  1
  Ni  Ni37  1  0.998493  0.780646  0.314602  1
  Ni  Ni38  1  0.184357  0.487773  0.380658  1
  Ni  Ni39  1  0.816060  0.483108  0.299963  1
  Ni  Ni40  1  0.220275  0.696738  0.344492  1
  Ni  Ni41  1  0.377702  0.591346  0.311440  1
  Ni  Ni42  1  0.604883  0.360543  0.366993  1
  Ni  Ni43  1  0.874552  0.257009  0.286271  1
  Ni  Ni44  1  0.066054  0.690377  0.392510  1
  Ni  Ni45  1  0.805452  0.829343  0.361141  1
  Ni  Ni46  1  0.174851  0.116654  0.317425  1
  Ni  Ni47  1  0.108642  0.589768  0.291953  1
  Ni  Ni48  1  0.890657  0.364177  0.385243  1
  Ni  Ni49  1  0.538971  0.866717  0.334903  1
  Ni  Ni50  1  0.444252  0.091717  0.343710  1
  Ni  Ni51  1  0.595558  0.094894  0.299197  1
  Ni  Ni52  1  0.381576  0.862131  0.381413  1
  Ni  Ni53  1  0.763963  0.248096  0.335041  1
  Ni  Ni54  1  0.404888  0.147812  0.394249  1
  Ni  Ni55  1  0.144677  0.634121  0.471224  1
  Ni  Ni56  1  0.516279  0.003872  0.428800  1
  Ni  Ni57  1  0.823288  0.486281  0.474228  1
  Ni  Ni58  1  0.838507  0.150910  0.426326  1
  Ni  Ni59  1  0.026923  0.831065  0.492495  1
  Ni  Ni60  1  0.634318  0.807690  0.407494  1
  Ni  Ni61  1  0.062686  0.044856  0.455405  1
  Ni  Ni62  1  0.212366  0.931050  0.421851  1
  Ni  Ni63  1  0.448681  0.706657  0.477830  1
  Ni  Ni64  1  0.750229  0.604338  0.397108  1
  Ni  Ni65  1  0.910526  0.032447  0.503381  1
  Ni  Ni66  1  0.646897  0.171684  0.471757  1
  Ni  Ni67  1  0.015575  0.466962  0.428328  1
  Ni  Ni68  1  0.929579  0.930105  0.404835  1
  Ni  Ni69  1  0.732594  0.709315  0.495425  1
  Ni  Ni70  1  0.367723  0.204153  0.445377  1
  Ni  Ni71  1  0.292302  0.433437  0.454292  1
  Ni  Ni72  1  0.433012  0.432827  0.406483  1
  Ni  Ni73  1  0.227997  0.203501  0.493241  1
  Ni  Ni74  1  0.597973  0.593908  0.444171  1
  Ni  Ni75  1  0.253210  0.489897  0.505488  1
  Ni  Ni76  1  0.990224  0.975752  0.582303  1
  Ni  Ni77  1  0.361840  0.345559  0.539717  1
  Ni  Ni78  1  0.667864  0.828536  0.584768  1
  Ni  Ni79  1  0.683152  0.493278  0.536785  1
  Ni  Ni80  1  0.872654  0.172218  0.603577  1
  Ni  Ni81  1  0.479574  0.148519  0.518528  1
  Ni  Ni82  1  0.908238  0.385537  0.566854  1
  Ni  Ni83  1  0.057764  0.273113  0.533140  1
  Ni  Ni84  1  0.294222  0.048692  0.589247  1
  Ni  Ni85  1  0.596108  0.947214  0.507621  1
  Ni  Ni86  1  0.755948  0.375104  0.613983  1
  Ni  Ni87  1  0.490628  0.512774  0.582567  1
  Ni  Ni88  1  0.859649  0.807861  0.539313  1
  Ni  Ni89  1  0.773964  0.270256  0.515602  1
  Ni  Ni90  1  0.577281  0.049804  0.606294  1
  Ni  Ni91  1  0.214236  0.546249  0.556694  1
  Ni  Ni92  1  0.138415  0.775555  0.565653  1
  Ni  Ni93  1  0.278405  0.776128  0.517790  1
  Ni  Ni94  1  0.073206  0.546716  0.604473  1
  Ni  Ni95  1  0.443837  0.935050  0.555580  1
  Ni  Ni96  1  0.101786  0.832104  0.616819  1
  Ni  Ni97  1  0.828558  0.308830  0.694301  1
  Ni  Ni98  1  0.203662  0.684319  0.652585  1
  Ni  Ni99  1  0.508029  0.195569  0.696874  1
  Ni  Ni100  1  0.524482  0.830124  0.648444  1
  Ni  Ni101  1  0.692090  0.494995  0.711238  1
  Ni  Ni102  1  0.321799  0.492184  0.630177  1
  Ni  Ni103  1  0.741942  0.729902  0.675932  1
  Ni  Ni104  1  0.901307  0.618814  0.643971  1
  Ni  Ni105  1  0.129080  0.387748  0.699670  1
  Ni  Ni106  1  0.440569  0.289763  0.618536  1
  Ni  Ni107  1  0.631291  0.720538  0.724420  1
  Ni  Ni108  1  0.330962  0.863918  0.693791  1
  Ni  Ni109  1  0.702558  0.150441  0.649927  1
  Ni  Ni110  1  0.615622  0.613653  0.625785  1
  Ni  Ni111  1  0.400336  0.390477  0.718626  1
  Ni  Ni112  1  0.061716  0.887915  0.667335  1
  Ni  Ni113  1  0.967403  0.113249  0.675999  1
  Ni  Ni114  1  0.125312  0.117985  0.629778  1
  Ni  Ni115  1  0.909862  0.887188  0.711579  1
  Ni  Ni116  1  0.287287  0.283896  0.666529  1
