# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54176936
_cell_length_b   11.76798608
_cell_length_c   45.97923864
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.06792358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3519.80883606
_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  0.847312  0.218978  0.359502  1
  Zr  Zr2  1  0.675819  0.995871  0.293229  1
  Zr  Zr3  1  0.754392  0.817933  0.374828  1
  Zr  Zr4  1  0.807550  0.369276  0.277363  1
  Zr  Zr5  1  0.505438  0.617011  0.314668  1
  Zr  Zr6  1  0.020289  0.605451  0.336177  1
  Zr  Zr7  1  0.347004  0.251367  0.341297  1
  Zr  Zr8  1  0.173775  0.958645  0.307808  1
  Zr  Zr9  1  0.493768  0.756330  0.470274  1
  Zr  Zr10  1  0.320759  0.528708  0.405231  1
  Zr  Zr11  1  0.403691  0.351370  0.488371  1
  Zr  Zr12  1  0.404636  0.931147  0.386235  1
  Zr  Zr13  1  0.144963  0.146963  0.427023  1
  Zr  Zr14  1  0.664583  0.136598  0.448365  1
  Zr  Zr15  1  0.988059  0.783175  0.452903  1
  Zr  Zr16  1  0.825658  0.502010  0.422517  1
  Zr  Zr17  1  0.141501  0.289929  0.582172  1
  Zr  Zr18  1  0.967583  0.062336  0.517397  1
  Zr  Zr19  1  0.056399  0.888970  0.601608  1
  Zr  Zr20  1  0.058724  0.467595  0.499268  1
  Zr  Zr21  1  0.797102  0.681700  0.539339  1
  Zr  Zr22  1  0.317803  0.671567  0.560748  1
  Zr  Zr23  1  0.636714  0.316520  0.564825  1
  Zr  Zr24  1  0.473791  0.035516  0.534931  1
  Zr  Zr25  1  0.789291  0.816433  0.694273  1
  Zr  Zr26  1  0.613721  0.599505  0.628338  1
  Zr  Zr27  1  0.645769  0.452671  0.710433  1
  Zr  Zr28  1  0.704790  1.001338  0.613949  1
  Zr  Zr29  1  0.443488  0.211648  0.651024  1
  Zr  Zr30  1  0.954983  0.197559  0.672380  1
  Zr  Zr31  1  0.279393  0.853601  0.678436  1
  Zr  Zr32  1  0.119139  0.567998  0.646606  1
  Ni  Ni33  1  0.907731  0.831662  0.266295  1
  Ni  Ni34  1  0.832208  0.620364  0.281648  1
  Ni  Ni35  1  0.679589  0.584300  0.369885  1
  Ni  Ni36  1  0.502573  0.056245  0.341913  1
  Ni  Ni37  1  0.018900  0.155572  0.308770  1
  Ni  Ni38  1  0.157284  0.522942  0.285479  1
  Ni  Ni39  1  0.367125  0.693427  0.367201  1
  Ni  Ni40  1  0.048205  0.369394  0.321731  1
  Ni  Ni41  1  0.698998  0.431704  0.330206  1
  Ni  Ni42  1  0.825209  0.793274  0.316156  1
  Ni  Ni43  1  0.117527  0.834279  0.353231  1
  Ni  Ni44  1  0.401027  0.379323  0.296248  1
  Ni  Ni45  1  0.378695  0.157562  0.286378  1
  Ni  Ni46  1  0.142453  0.065684  0.368353  1
  Ni  Ni47  1  0.681531  0.220638  0.310772  1
  Ni  Ni48  1  0.844842  0.988658  0.342771  1
  Ni  Ni49  1  0.967780  0.439118  0.372598  1
  Ni  Ni50  1  0.535791  0.785502  0.277542  1
  Ni  Ni51  1  0.176371  0.742357  0.297424  1
  Ni  Ni52  1  0.332653  0.470557  0.349667  1
  Ni  Ni53  1  0.470659  0.840234  0.329500  1
  Ni  Ni54  1  0.585283  0.375868  0.380726  1
  Ni  Ni55  1  0.485290  0.164391  0.393100  1
  Ni  Ni56  1  0.325613  0.117255  0.482075  1
  Ni  Ni57  1  0.165684  0.595104  0.455827  1
  Ni  Ni58  1  0.649265  0.690883  0.419350  1
  Ni  Ni59  1  0.794833  0.052981  0.396313  1
  Ni  Ni60  1  0.015234  0.226918  0.479084  1
  Ni  Ni61  1  0.684985  0.904315  0.432486  1
  Ni  Ni62  1  0.336898  0.963771  0.443791  1
  Ni  Ni63  1  0.475955  0.321122  0.430829  1
  Ni  Ni64  1  0.770977  0.368242  0.466868  1
  Ni  Ni65  1  0.041500  0.914398  0.408274  1
  Ni  Ni66  1  0.018469  0.685375  0.394176  1
  Ni  Ni67  1  0.795429  0.601457  0.481474  1
  Ni  Ni68  1  0.318973  0.763472  0.418799  1
  Ni  Ni69  1  0.496028  0.521257  0.456755  1
  Ni  Ni70  1  0.613820  0.972896  0.485092  1
  Ni  Ni71  1  0.200092  0.312721  0.390076  1
  Ni  Ni72  1  0.838326  0.284099  0.413510  1
  Ni  Ni73  1  0.973682  1.000397  0.462438  1
  Ni  Ni74  1  0.127605  0.379897  0.442650  1
  Ni  Ni75  1  0.230578  0.909407  0.494037  1
  Ni  Ni76  1  0.136263  0.701282  0.505717  1
  Ni  Ni77  1  0.976905  0.654096  0.594426  1
  Ni  Ni78  1  0.812146  0.126534  0.568568  1
  Ni  Ni79  1  0.296349  0.223681  0.531711  1
  Ni  Ni80  1  0.447104  0.591919  0.508522  1
  Ni  Ni81  1  0.668015  0.765833  0.591554  1
  Ni  Ni82  1  0.335165  0.439141  0.544938  1
  Ni  Ni83  1  0.986377  0.497300  0.556932  1
  Ni  Ni84  1  0.124531  0.854464  0.544193  1
  Ni  Ni85  1  0.421331  0.904476  0.579519  1
  Ni  Ni86  1  0.691760  0.450843  0.520766  1
  Ni  Ni87  1  0.666516  0.217078  0.506103  1
  Ni  Ni88  1  0.443537  0.132977  0.593443  1
  Ni  Ni89  1  0.966073  0.297462  0.530698  1
  Ni  Ni90  1  0.142882  0.055276  0.568779  1
  Ni  Ni91  1  0.261937  0.505040  0.597576  1
  Ni  Ni92  1  0.847745  0.845542  0.502708  1
  Ni  Ni93  1  0.488077  0.818264  0.525349  1
  Ni  Ni94  1  0.624525  0.534239  0.574257  1
  Ni  Ni95  1  0.776498  0.914091  0.555288  1
  Ni  Ni96  1  0.877072  0.444135  0.607315  1
  Ni  Ni97  1  0.784467  0.235914  0.617216  1
  Ni  Ni98  1  0.631057  0.212656  0.703739  1
  Ni  Ni99  1  0.447853  0.659409  0.679904  1
  Ni  Ni100  1  0.953262  0.760990  0.644831  1
  Ni  Ni101  1  0.094861  0.124673  0.620377  1
  Ni  Ni102  1  0.298088  0.294189  0.701786  1
  Ni  Ni103  1  0.984095  0.976003  0.658318  1
  Ni  Ni104  1  0.627775  0.018510  0.675237  1
  Ni  Ni105  1  0.761383  0.384349  0.657806  1
  Ni  Ni106  1  0.056220  0.437001  0.691416  1
  Ni  Ni107  1  0.342942  0.985349  0.635231  1
  Ni  Ni108  1  0.317986  0.752878  0.618997  1
  Ni  Ni109  1  0.086572  0.656816  0.702231  1
  Ni  Ni110  1  0.613247  0.829249  0.645292  1
  Ni  Ni111  1  0.786878  0.595210  0.676584  1
  Ni  Ni112  1  0.931110  0.028480  0.710666  1
  Ni  Ni113  1  0.494634  0.378462  0.614906  1
  Ni  Ni114  1  0.128720  0.347182  0.638052  1
  Ni  Ni115  1  0.280166  0.075676  0.689155  1
  Ni  Ni116  1  0.413075  0.446172  0.665791  1
