# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90329659
_cell_length_b   8.62612161
_cell_length_c   48.28737677
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.07444207
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3486.5091208
_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  0.103195  0.762403  0.306328  1
  Zr  Zr2  1  0.916078  0.137867  0.378233  1
  Zr  Zr3  1  0.415531  0.330033  0.348243  1
  Zr  Zr4  1  0.609741  0.563141  0.332807  1
  Zr  Zr5  1  0.645984  0.941414  0.316827  1
  Zr  Zr6  1  0.377043  0.943549  0.364148  1
  Zr  Zr7  1  0.035431  0.597333  0.366347  1
  Zr  Zr8  1  -0.006449  0.292465  0.314994  1
  Zr  Zr9  1  0.757479  0.594593  0.414212  1
  Zr  Zr10  1  0.562053  0.979558  0.489082  1
  Zr  Zr11  1  0.059560  0.178562  0.459553  1
  Zr  Zr12  1  0.260830  0.394542  0.443575  1
  Zr  Zr13  1  0.294418  0.788697  0.426983  1
  Zr  Zr14  1  0.025466  0.785095  0.475995  1
  Zr  Zr15  1  0.683415  0.444058  0.477182  1
  Zr  Zr16  1  0.636567  0.129899  0.425849  1
  Zr  Zr17  1  0.405720  0.437138  0.525109  1
  Zr  Zr18  1  0.210605  0.821963  0.600048  1
  Zr  Zr19  1  0.707044  0.021968  0.570628  1
  Zr  Zr20  1  0.908068  0.238165  0.554651  1
  Zr  Zr21  1  0.942310  0.631656  0.538219  1
  Zr  Zr22  1  0.673276  0.628112  0.587176  1
  Zr  Zr23  1  0.331090  0.286968  0.588328  1
  Zr  Zr24  1  0.284438  0.972577  0.537020  1
  Zr  Zr25  1  0.051351  0.278946  0.635825  1
  Zr  Zr26  1  0.865048  0.652993  0.707248  1
  Zr  Zr27  1  0.357372  0.853880  0.681579  1
  Zr  Zr28  1  0.552694  0.084861  0.665719  1
  Zr  Zr29  1  0.590613  0.472835  0.650205  1
  Zr  Zr30  1  0.321049  0.474951  0.697516  1
  Zr  Zr31  1  0.972262  0.125116  0.698355  1
  Zr  Zr32  1  0.932994  0.818799  0.648071  1
  Ni  Ni33  1  0.152045  0.026364  0.283354  1
  Ni  Ni34  1  0.699270  0.755150  0.362887  1
  Ni  Ni35  1  0.318677  0.132476  0.316229  1
  Ni  Ni36  1  0.849606  0.435520  0.363803  1
  Ni  Ni37  1  0.181446  0.452771  0.317980  1
  Ni  Ni38  1  0.494138  0.648440  0.384968  1
  Ni  Ni39  1  0.535425  0.238041  0.297875  1
  Ni  Ni40  1  0.294816  0.666933  0.346703  1
  Ni  Ni41  1  0.382653  0.831207  0.310153  1
  Ni  Ni42  1  0.627154  0.063390  0.368685  1
  Ni  Ni43  1  0.720800  0.379204  0.290242  1
  Ni  Ni44  1  0.298334  0.516034  0.394527  1
  Ni  Ni45  1  0.155785  0.255541  0.361105  1
  Ni  Ni46  1  0.875443  0.626346  0.320087  1
  Ni  Ni47  1  0.404247  0.534054  0.298719  1
  Ni  Ni48  1  0.619819  0.355248  0.384757  1
  Ni  Ni49  1  0.118412  0.998665  0.335580  1
  Ni  Ni50  1  0.895805  0.899883  0.344956  1
  Ni  Ni51  1  0.876473  0.059727  0.299127  1
  Ni  Ni52  1  0.123386  0.839890  0.382378  1
  Ni  Ni53  1  0.731432  0.229149  0.335904  1
  Ni  Ni54  1  0.836818  0.866165  0.396232  1
  Ni  Ni55  1  0.345586  0.597712  0.473663  1
  Ni  Ni56  1  0.975247  0.975937  0.429457  1
  Ni  Ni57  1  0.497595  0.278924  0.475844  1
  Ni  Ni58  1  0.821939  0.294502  0.427467  1
  Ni  Ni59  1  0.142826  0.488820  0.495779  1
  Ni  Ni60  1  0.179353  0.084002  0.407480  1
  Ni  Ni61  1  0.942592  0.510126  0.457642  1
  Ni  Ni62  1  0.048063  0.666873  0.422784  1
  Ni  Ni63  1  0.272573  0.906208  0.480331  1
  Ni  Ni64  1  0.376712  0.211016  0.397339  1
  Ni  Ni65  1  0.944804  0.361321  0.505735  1
  Ni  Ni66  1  0.801897  0.097883  0.472533  1
  Ni  Ni67  1  0.517616  0.476382  0.430631  1
  Ni  Ni68  1  0.051242  0.376586  0.407660  1
  Ni  Ni69  1  0.267770  0.195882  0.495545  1
  Ni  Ni70  1  0.774906  0.831063  0.447563  1
  Ni  Ni71  1  0.544943  0.743430  0.455481  1
  Ni  Ni72  1  0.548349  0.892379  0.409021  1
  Ni  Ni73  1  0.771270  0.682664  0.493940  1
  Ni  Ni74  1  0.378303  0.063616  0.445696  1
  Ni  Ni75  1  0.483867  0.708316  0.507093  1
  Ni  Ni76  1  0.992482  0.440855  0.584754  1
  Ni  Ni77  1  0.622125  0.819013  0.540511  1
  Ni  Ni78  1  0.145950  0.122070  0.586617  1
  Ni  Ni79  1  0.470173  0.137788  0.538370  1
  Ni  Ni80  1  0.787831  0.332926  0.606729  1
  Ni  Ni81  1  0.825012  0.927899  0.518433  1
  Ni  Ni82  1  0.589317  0.353085  0.568499  1
  Ni  Ni83  1  0.695159  0.510492  0.533869  1
  Ni  Ni84  1  0.920167  0.749628  0.591455  1
  Ni  Ni85  1  0.022992  0.055418  0.508476  1
  Ni  Ni86  1  0.590407  0.205764  0.616802  1
  Ni  Ni87  1  0.450416  0.940229  0.583597  1
  Ni  Ni88  1  0.165837  0.318834  0.541664  1
  Ni  Ni89  1  0.699948  0.220809  0.518655  1
  Ni  Ni90  1  0.916678  0.039964  0.606505  1
  Ni  Ni91  1  0.422790  0.673237  0.558722  1
  Ni  Ni92  1  0.192969  0.585634  0.566668  1
  Ni  Ni93  1  0.196492  0.734029  0.520263  1
  Ni  Ni94  1  0.419646  0.524355  0.605260  1
  Ni  Ni95  1  0.025414  0.906513  0.556593  1
  Ni  Ni96  1  0.131532  0.550436  0.618027  1
  Ni  Ni97  1  0.646724  0.282654  0.697442  1
  Ni  Ni98  1  0.268743  0.661485  0.651497  1
  Ni  Ni99  1  0.785987  0.962801  0.696437  1
  Ni  Ni100  1  0.118055  0.981206  0.650431  1
  Ni  Ni101  1  0.428955  0.177061  0.716040  1
  Ni  Ni102  1  0.474002  0.768293  0.629334  1
  Ni  Ni103  1  0.234835  0.187713  0.678143  1
  Ni  Ni104  1  0.340943  0.352952  0.645638  1
  Ni  Ni105  1  0.585094  0.584226  0.703903  1
  Ni  Ni106  1  0.670585  0.900058  0.619681  1
  Ni  Ni107  1  0.241797  0.036801  0.723717  1
  Ni  Ni108  1  0.091695  0.791135  0.694417  1
  Ni  Ni109  1  0.811375  0.160574  0.652887  1
  Ni  Ni110  1  0.347524  0.061430  0.629373  1
  Ni  Ni111  1  0.563503  0.881012  0.715720  1
  Ni  Ni112  1  0.072172  0.515991  0.669247  1
  Ni  Ni113  1  0.848585  0.417699  0.678058  1
  Ni  Ni114  1  0.844371  0.577006  0.631878  1
  Ni  Ni115  1  0.087394  0.356300  0.714738  1
  Ni  Ni116  1  0.672859  0.748908  0.667580  1
