# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69030941
_cell_length_b   8.90609930
_cell_length_c   45.14233429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.30839775
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3488.04735551
_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  0.438943  0.042333  0.301414  1
  Zr  Zr2  1  0.155796  0.684479  0.389955  1
  Zr  Zr3  1  0.848875  0.501003  0.325757  1
  Zr  Zr4  1  0.736452  0.222725  0.363785  1
  Zr  Zr5  1  0.235602  0.419244  0.310564  1
  Zr  Zr6  1  0.338839  0.301111  0.380172  1
  Zr  Zr7  1  0.586818  0.769415  0.339722  1
  Zr  Zr8  1  0.997399  0.954298  0.349647  1
  Zr  Zr9  1  0.691472  0.657447  0.409808  1
  Zr  Zr10  1  0.412548  0.307221  0.501664  1
  Zr  Zr11  1  0.108960  0.121943  0.437016  1
  Zr  Zr12  1  0.994690  0.840959  0.474120  1
  Zr  Zr13  1  0.504208  0.044169  0.421262  1
  Zr  Zr14  1  0.598346  0.918836  0.490411  1
  Zr  Zr15  1  0.849660  0.390053  0.450939  1
  Zr  Zr16  1  0.253363  0.573633  0.460311  1
  Zr  Zr17  1  0.946956  0.274000  0.520926  1
  Zr  Zr18  1  0.668032  0.923774  0.612782  1
  Zr  Zr19  1  0.364814  0.740263  0.548470  1
  Zr  Zr20  1  0.250544  0.459279  0.585575  1
  Zr  Zr21  1  0.761158  0.662386  0.532179  1
  Zr  Zr22  1  0.855296  0.537052  0.601329  1
  Zr  Zr23  1  0.106140  0.007588  0.562279  1
  Zr  Zr24  1  0.509844  0.191168  0.571651  1
  Zr  Zr25  1  0.203708  0.896742  0.632635  1
  Zr  Zr26  1  0.920561  0.538888  0.721176  1
  Zr  Zr27  1  0.623052  0.358497  0.658805  1
  Zr  Zr28  1  0.510629  0.080219  0.696834  1
  Zr  Zr29  1  0.020665  0.280111  0.642419  1
  Zr  Zr30  1  0.123902  0.161978  0.712026  1
  Zr  Zr31  1  0.362104  0.626923  0.672943  1
  Zr  Zr32  1  0.772686  0.811806  0.682868  1
  Ni  Ni33  1  0.294313  0.861694  0.343570  1
  Ni  Ni34  1  0.487696  0.050396  0.359802  1
  Ni  Ni35  1  0.099526  0.674367  0.328263  1
  Ni  Ni36  1  0.726332  0.019172  0.324667  1
  Ni  Ni37  1  0.869625  0.704281  0.365086  1
  Ni  Ni38  1  0.482870  0.294791  0.331598  1
  Ni  Ni39  1  0.091198  0.433649  0.358182  1
  Ni  Ni40  1  0.609407  0.493337  0.363537  1
  Ni  Ni41  1  0.347042  0.719139  0.298923  1
  Ni  Ni42  1  0.236929  0.004239  0.388512  1
  Ni  Ni43  1  0.030345  0.195016  0.381249  1
  Ni  Ni44  1  0.549572  0.525279  0.307065  1
  Ni  Ni45  1  0.861059  0.787102  0.308028  1
  Ni  Ni46  1  0.722845  0.936079  0.382721  1
  Ni  Ni47  1  0.875504  0.448585  0.391103  1
  Ni  Ni48  1  0.699592  0.266523  0.301506  1
  Ni  Ni49  1  0.140729  0.922880  0.299260  1
  Ni  Ni50  1  0.442549  0.802207  0.391238  1
  Ni  Ni51  1  0.227989  0.138210  0.336656  1
  Ni  Ni52  1  0.355109  0.584436  0.351422  1
  Ni  Ni53  1  0.970667  0.224406  0.323316  1
  Ni  Ni54  1  0.551941  0.482728  0.455804  1
  Ni  Ni55  1  0.744948  0.669714  0.471507  1
  Ni  Ni56  1  0.358802  0.294915  0.440378  1
  Ni  Ni57  1  0.974172  0.640069  0.434097  1
  Ni  Ni58  1  0.129132  0.322999  0.477394  1
  Ni  Ni59  1  0.750679  0.905806  0.440392  1
  Ni  Ni60  1  0.352180  0.057432  0.471065  1
  Ni  Ni61  1  0.864190  0.109143  0.474853  1
  Ni  Ni62  1  0.609142  0.340247  0.411294  1
  Ni  Ni63  1  0.493845  0.624992  0.500338  1
  Ni  Ni64  1  0.287412  0.813638  0.493422  1
  Ni  Ni65  1  0.816223  0.148987  0.417911  1
  Ni  Ni66  1  0.121238  0.406613  0.417148  1
  Ni  Ni67  1  0.980537  0.555714  0.494158  1
  Ni  Ni68  1  0.131218  0.064431  0.502681  1
  Ni  Ni69  1  0.970958  0.896963  0.408532  1
  Ni  Ni70  1  0.403518  0.542561  0.408513  1
  Ni  Ni71  1  0.700766  0.421713  0.502854  1
  Ni  Ni72  1  0.487282  0.754923  0.447249  1
  Ni  Ni73  1  0.616202  0.209176  0.464192  1
  Ni  Ni74  1  0.238524  0.852924  0.436178  1
  Ni  Ni75  1  0.807563  0.098493  0.566787  1
  Ni  Ni76  1  0.000702  0.286307  0.582212  1
  Ni  Ni77  1  0.614556  0.911507  0.551084  1
  Ni  Ni78  1  0.230372  0.258222  0.545196  1
  Ni  Ni79  1  0.385332  0.941153  0.588493  1
  Ni  Ni80  1  0.007324  0.523790  0.551525  1
  Ni  Ni81  1  0.608825  0.675416  0.582198  1
  Ni  Ni82  1  0.120980  0.728298  0.586412  1
  Ni  Ni83  1  0.865659  0.956230  0.522252  1
  Ni  Ni84  1  0.750362  0.240975  0.611296  1
  Ni  Ni85  1  0.543281  0.432235  0.604680  1
  Ni  Ni86  1  0.072092  0.767583  0.529168  1
  Ni  Ni87  1  0.378966  0.025508  0.528432  1
  Ni  Ni88  1  0.238266  0.174608  0.605442  1
  Ni  Ni89  1  0.388546  0.684259  0.614058  1
  Ni  Ni90  1  0.228286  0.516791  0.519909  1
  Ni  Ni91  1  0.658737  0.159508  0.519737  1
  Ni  Ni92  1  0.955986  0.038661  0.614077  1
  Ni  Ni93  1  0.743301  0.372045  0.558399  1
  Ni  Ni94  1  0.872222  0.826298  0.575342  1
  Ni  Ni95  1  0.495313  0.472079  0.547737  1
  Ni  Ni96  1  0.065191  0.719528  0.679020  1
  Ni  Ni97  1  0.259978  0.906855  0.694327  1
  Ni  Ni98  1  0.871808  0.530825  0.662789  1
  Ni  Ni99  1  0.489879  0.876940  0.657505  1
  Ni  Ni100  1  0.633172  0.562050  0.697923  1
  Ni  Ni101  1  0.268306  0.147572  0.664408  1
  Ni  Ni102  1  0.876633  0.286430  0.690992  1
  Ni  Ni103  1  0.388837  0.356816  0.699274  1
  Ni  Ni104  1  0.122575  0.576983  0.634078  1
  Ni  Ni105  1  0.012462  0.862082  0.723667  1
  Ni  Ni106  1  0.809932  0.055942  0.715525  1
  Ni  Ni107  1  0.329159  0.386205  0.641341  1
  Ni  Ni108  1  0.636658  0.645143  0.639869  1
  Ni  Ni109  1  0.498444  0.794119  0.714562  1
  Ni  Ni110  1  0.659911  0.314699  0.721084  1
  Ni  Ni111  1  0.483999  0.132636  0.631488  1
  Ni  Ni112  1  0.916955  0.779015  0.631352  1
  Ni  Ni113  1  0.218775  0.658341  0.723330  1
  Ni  Ni114  1  0.004395  -0.003214  0.671168  1
  Ni  Ni115  1  0.131515  0.443011  0.685934  1
  Ni  Ni116  1  0.750097  0.087884  0.659053  1
