# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71653157
_cell_length_b   8.81786874
_cell_length_c   53.74570628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.64979067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3538.14735131
_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  0.509859  0.995638  0.344401  1
  Zr  Zr2  1  0.547310  0.478469  0.326147  1
  Zr  Zr3  1  0.964853  0.263138  0.308198  1
  Zr  Zr4  1  0.082411  0.207425  0.362319  1
  Zr  Zr5  1  0.109802  0.706520  0.307527  1
  Zr  Zr6  1  0.947298  0.762390  0.363544  1
  Zr  Zr7  1  0.672099  0.929190  0.290875  1
  Zr  Zr8  1  0.378500  0.539444  0.382516  1
  Zr  Zr9  1  0.391065  0.248535  0.454524  1
  Zr  Zr10  1  0.447387  0.724545  0.438831  1
  Zr  Zr11  1  0.867841  0.515917  0.419287  1
  Zr  Zr12  1  0.968586  0.458362  0.473025  1
  Zr  Zr13  1  0.006542  0.960819  0.419136  1
  Zr  Zr14  1  0.832486  0.013163  0.474294  1
  Zr  Zr15  1  0.573697  0.185099  0.398886  1
  Zr  Zr16  1  0.266699  0.789705  0.494269  1
  Zr  Zr17  1  0.275785  0.499237  0.565654  1
  Zr  Zr18  1  0.332012  0.975445  0.549907  1
  Zr  Zr19  1  0.754499  0.765499  0.531476  1
  Zr  Zr20  1  0.855261  0.708075  0.585206  1
  Zr  Zr21  1  0.890622  0.210865  0.530182  1
  Zr  Zr22  1  0.716578  0.263203  0.585317  1
  Zr  Zr23  1  0.456435  0.434212  0.510195  1
  Zr  Zr24  1  0.149822  0.038817  0.605620  1
  Zr  Zr25  1  0.173878  0.747209  0.678402  1
  Zr  Zr26  1  0.213714  0.229240  0.660175  1
  Zr  Zr27  1  0.639569  0.014665  0.642033  1
  Zr  Zr28  1  0.756816  0.964434  0.696214  1
  Zr  Zr29  1  0.776789  0.461618  0.640816  1
  Zr  Zr30  1  0.613903  0.518306  0.696454  1
  Zr  Zr31  1  0.343284  0.684193  0.622013  1
  Zr  Zr32  1  0.052125  0.299905  0.713255  1
  Ni  Ni33  1  0.568759  0.626226  0.280168  1
  Ni  Ni34  1  0.241232  0.993256  0.380934  1
  Ni  Ni35  1  0.814471  0.487275  0.290289  1
  Ni  Ni36  1  0.424423  0.257229  0.358129  1
  Ni  Ni37  1  0.621464  0.216367  0.311323  1
  Ni  Ni38  1  0.165590  0.974163  0.336003  1
  Ni  Ni39  1  0.891957  0.497906  0.335135  1
  Ni  Ni40  1  0.843845  0.993300  0.333697  1
  Ni  Ni41  1  0.792753  0.994832  0.379755  1
  Ni  Ni42  1  0.257438  0.475077  0.291760  1
  Ni  Ni43  1  0.026318  0.482735  0.376617  1
  Ni  Ni44  1  0.029570  0.981471  0.296671  1
  Ni  Ni45  1  0.695090  0.483218  0.374973  1
  Ni  Ni46  1  0.354764  0.978322  0.298482  1
  Ni  Ni47  1  0.768000  0.252527  0.355581  1
  Ni  Ni48  1  0.284710  0.222133  0.315580  1
  Ni  Ni49  1  0.617722  0.745639  0.354943  1
  Ni  Ni50  1  0.435553  0.724188  0.317198  1
  Ni  Ni51  1  0.265474  0.737676  0.355859  1
  Ni  Ni52  1  0.787180  0.733345  0.315258  1
  Ni  Ni53  1  0.208621  0.479204  0.336570  1
  Ni  Ni54  1  0.476716  0.860284  0.391494  1
  Ni  Ni55  1  0.124406  0.243685  0.491589  1
  Ni  Ni56  1  0.712434  0.729509  0.401698  1
  Ni  Ni57  1  0.307608  0.510585  0.470111  1
  Ni  Ni58  1  0.529114  0.463005  0.423038  1
  Ni  Ni59  1  0.049503  0.226788  0.445802  1
  Ni  Ni60  1  0.789821  0.746645  0.447539  1
  Ni  Ni61  1  0.725198  0.240968  0.444444  1
  Ni  Ni62  1  0.677081  0.244448  0.490547  1
  Ni  Ni63  1  0.162546  0.728835  0.402715  1
  Ni  Ni64  1  0.916797  0.732576  0.488449  1
  Ni  Ni65  1  0.922898  0.242225  0.405103  1
  Ni  Ni66  1  0.586029  0.732049  0.487252  1
  Ni  Ni67  1  0.253577  0.241811  0.406133  1
  Ni  Ni68  1  0.653640  0.501618  0.468081  1
  Ni  Ni69  1  0.183719  0.471985  0.425049  1
  Ni  Ni70  1  0.502078  0.995689  0.466081  1
  Ni  Ni71  1  0.337307  0.978216  0.427508  1
  Ni  Ni72  1  0.153517  0.989781  0.467298  1
  Ni  Ni73  1  0.685069  0.983630  0.426119  1
  Ni  Ni74  1  0.112701  0.732644  0.448754  1
  Ni  Ni75  1  0.361527  0.111978  0.502227  1
  Ni  Ni76  1  0.010885  0.494520  0.602776  1
  Ni  Ni77  1  0.598713  0.980222  0.512880  1
  Ni  Ni78  1  0.193968  0.760819  0.581351  1
  Ni  Ni79  1  0.415461  0.713337  0.534378  1
  Ni  Ni80  1  0.933397  0.477459  0.556941  1
  Ni  Ni81  1  0.673651  0.997080  0.558647  1
  Ni  Ni82  1  0.610370  0.491182  0.555726  1
  Ni  Ni83  1  0.560142  0.494751  0.601787  1
  Ni  Ni84  1  0.045926  0.979497  0.513922  1
  Ni  Ni85  1  0.800631  0.982132  0.599304  1
  Ni  Ni86  1  0.806303  0.491357  0.516023  1
  Ni  Ni87  1  0.469554  0.982214  0.598238  1
  Ni  Ni88  1  0.137130  0.491844  0.517236  1
  Ni  Ni89  1  0.539391  0.751967  0.579473  1
  Ni  Ni90  1  0.069477  0.722345  0.536355  1
  Ni  Ni91  1  0.385709  0.245552  0.576970  1
  Ni  Ni92  1  0.220997  0.228269  0.538394  1
  Ni  Ni93  1  0.038036  0.240238  0.578398  1
  Ni  Ni94  1  0.569532  0.234119  0.537175  1
  Ni  Ni95  1  0.998115  0.983000  0.560021  1
  Ni  Ni96  1  0.246284  0.363534  0.613040  1
  Ni  Ni97  1  0.901094  0.741615  0.713243  1
  Ni  Ni98  1  0.481832  0.230297  0.623545  1
  Ni  Ni99  1  0.100604  0.009837  0.693257  1
  Ni  Ni100  1  0.298437  0.966784  0.646564  1
  Ni  Ni101  1  0.828713  0.727574  0.669049  1
  Ni  Ni102  1  0.558214  0.248838  0.668346  1
  Ni  Ni103  1  0.511787  0.745638  0.667658  1
  Ni  Ni104  1  0.469262  0.749988  0.711893  1
  Ni  Ni105  1  0.930141  0.228994  0.624748  1
  Ni  Ni106  1  0.694538  0.246070  0.707807  1
  Ni  Ni107  1  0.695788  0.740631  0.627720  1
  Ni  Ni108  1  0.368764  0.248131  0.705809  1
  Ni  Ni109  1  0.027598  0.740795  0.629678  1
  Ni  Ni110  1  0.436474  0.002581  0.689105  1
  Ni  Ni111  1  0.955493  0.972272  0.648940  1
  Ni  Ni112  1  0.286844  0.503099  0.687310  1
  Ni  Ni113  1  0.106064  0.479190  0.649621  1
  Ni  Ni114  1  0.934538  0.493415  0.688778  1
  Ni  Ni115  1  0.457671  0.486281  0.648706  1
  Ni  Ni116  1  0.879842  0.232347  0.670728  1
