# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51263224
_cell_length_b   8.73308834
_cell_length_c   52.02471038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.73606814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr24 Ni63'
_cell_volume   2748.54510651
_cell_formula_units_Z   3
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  0.173911  0.251588  0.293221  1
  Zr  Zr2  1  0.583657  0.703152  0.425158  1
  Zr  Zr3  1  0.034522  0.902738  0.359746  1
  Zr  Zr4  1  0.715276  0.048386  0.356791  1
  Zr  Zr5  1  0.582373  0.437140  0.351296  1
  Zr  Zr6  1  0.167580  0.521212  0.364434  1
  Zr  Zr7  1  0.402582  0.155983  0.421840  1
  Zr  Zr8  1  0.353700  0.810485  0.295223  1
  Zr  Zr9  1  0.952781  0.208064  0.434196  1
  Zr  Zr10  1  0.372230  0.656868  0.568795  1
  Zr  Zr11  1  0.823367  0.862735  0.503174  1
  Zr  Zr12  1  0.501687  1.002422  0.499785  1
  Zr  Zr13  1  0.369218  0.392871  0.494835  1
  Zr  Zr14  1  0.955914  0.472356  0.508126  1
  Zr  Zr15  1  0.190628  0.110209  0.565359  1
  Zr  Zr16  1  0.134599  0.755107  0.437566  1
  Zr  Zr17  1  0.741604  0.162093  0.577745  1
  Zr  Zr18  1  0.144650  0.621764  0.709330  1
  Zr  Zr19  1  0.609346  0.817142  0.646081  1
  Zr  Zr20  1  0.290395  0.963733  0.643267  1
  Zr  Zr21  1  0.158326  0.344185  0.638773  1
  Zr  Zr22  1  0.741575  0.427676  0.651629  1
  Zr  Zr23  1  0.955440  0.043062  0.707124  1
  Zr  Zr24  1  0.922651  0.709322  0.581158  1
  Ni  Ni25  1  0.997019  0.496053  0.286174  1
  Ni  Ni26  1  0.870936  0.329816  0.326550  1
  Ni  Ni27  1  0.886925  0.629227  0.390039  1
  Ni  Ni28  1  0.764939  0.036156  0.308868  1
  Ni  Ni29  1  0.983193  0.935426  0.407599  1
  Ni  Ni30  1  0.157627  0.223982  0.340116  1
  Ni  Ni31  1  0.590846  0.729718  0.375806  1
  Ni  Ni32  1  0.098063  0.218304  0.386950  1
  Ni  Ni33  1  0.781902  0.315248  0.388658  1
  Ni  Ni34  1  0.973108  0.638501  0.326065  1
  Ni  Ni35  1  0.352343  0.828141  0.342344  1
  Ni  Ni36  1  0.399637  0.129952  0.372732  1
  Ni  Ni37  1  0.294517  0.824554  0.391389  1
  Ni  Ni38  1  0.452323  0.133235  0.323080  1
  Ni  Ni39  1  0.655040  1.000446  0.404076  1
  Ni  Ni40  1  0.069206  0.942198  0.312774  1
  Ni  Ni41  1  0.152664  0.496738  0.412697  1
  Ni  Ni42  1  0.606243  0.450855  0.303037  1
  Ni  Ni43  1  0.285972  0.529257  0.318233  1
  Ni  Ni44  1  0.466777  0.427504  0.397878  1
  Ni  Ni45  1  0.658593  0.742009  0.327719  1
  Ni  Ni46  1  0.767521  0.454492  0.429935  1
  Ni  Ni47  1  0.648190  0.281231  0.470158  1
  Ni  Ni48  1  0.676928  0.583952  0.532800  1
  Ni  Ni49  1  0.554355  0.976654  0.452222  1
  Ni  Ni50  1  0.770708  0.888422  0.550743  1
  Ni  Ni51  1  0.946458  0.181749  0.483215  1
  Ni  Ni52  1  0.378656  0.683399  0.519752  1
  Ni  Ni53  1  0.885396  0.171258  0.530338  1
  Ni  Ni54  1  0.570766  0.269502  0.531865  1
  Ni  Ni55  1  0.754437  0.595736  0.471102  1
  Ni  Ni56  1  0.135451  0.778213  0.486589  1
  Ni  Ni57  1  0.189698  0.086949  0.516366  1
  Ni  Ni58  1  0.082575  0.779664  0.534878  1
  Ni  Ni59  1  0.242498  0.085420  0.468083  1
  Ni  Ni60  1  0.444855  0.955242  0.547059  1
  Ni  Ni61  1  0.880227  0.909833  0.455910  1
  Ni  Ni62  1  0.941838  0.450757  0.556145  1
  Ni  Ni63  1  0.383390  0.414455  0.446847  1
  Ni  Ni64  1  0.069263  0.483941  0.461687  1
  Ni  Ni65  1  0.255766  0.381235  0.541281  1
  Ni  Ni66  1  0.439678  0.693875  0.472597  1
  Ni  Ni67  1  0.557694  0.410973  0.573024  1
  Ni  Ni68  1  0.437957  0.236117  0.612824  1
  Ni  Ni69  1  0.452852  0.535653  0.676560  1
  Ni  Ni70  1  0.342072  0.929840  0.595352  1
  Ni  Ni71  1  0.553017  0.828238  0.693752  1
  Ni  Ni72  1  0.734464  0.135685  0.627021  1
  Ni  Ni73  1  0.165252  0.640735  0.662724  1
  Ni  Ni74  1  0.666087  0.125380  0.675187  1
  Ni  Ni75  1  0.350129  0.228181  0.678391  1
  Ni  Ni76  1  0.542835  0.549747  0.614323  1
  Ni  Ni77  1  0.925625  0.735906  0.630134  1
  Ni  Ni78  1  0.973321  0.038951  0.660406  1
  Ni  Ni79  1  0.868981  0.731768  0.679625  1
  Ni  Ni80  1  0.030695  0.041376  0.611411  1
  Ni  Ni81  1  0.252918  0.924752  0.689998  1
  Ni  Ni82  1  0.670366  0.864701  0.598904  1
  Ni  Ni83  1  0.727310  0.418086  0.699234  1
  Ni  Ni84  1  0.172121  0.368120  0.590364  1
  Ni  Ni85  1  0.858316  0.437727  0.605133  1
  Ni  Ni86  1  0.042781  0.336294  0.685834  1
  Ni  Ni87  1  0.226465  0.646415  0.615943  1
