# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68610949
_cell_length_b   11.05594712
_cell_length_c   47.77397541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.02317446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4253.11848656
_cell_formula_units_Z   5
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  0.207563  0.308477  0.275079  1
  Zr  Zr2  1  0.130528  0.643401  0.353517  1
  Zr  Zr3  1  0.208152  0.932309  0.283711  1
  Zr  Zr4  1  0.161297  0.034628  0.342041  1
  Zr  Zr5  1  0.547368  0.837894  0.294744  1
  Zr  Zr6  1  0.801557  0.122519  0.331526  1
  Zr  Zr7  1  0.462292  0.449075  0.328727  1
  Zr  Zr8  1  0.889887  0.523862  0.296942  1
  Zr  Zr9  1  0.720598  0.729192  0.362381  1
  Zr  Zr10  1  0.631696  0.044688  0.445876  1
  Zr  Zr11  1  0.685782  0.332020  0.375218  1
  Zr  Zr12  1  0.674438  0.444946  0.432958  1
  Zr  Zr13  1  0.051992  0.251810  0.386510  1
  Zr  Zr14  1  0.302913  0.525166  0.422331  1
  Zr  Zr15  1  0.965197  0.857954  0.419780  1
  Zr  Zr16  1  0.387966  0.919297  0.388488  1
  Zr  Zr17  1  0.229073  0.133851  0.453968  1
  Zr  Zr18  1  0.141892  0.448025  0.537370  1
  Zr  Zr19  1  0.187499  0.733717  0.466839  1
  Zr  Zr20  1  0.183465  0.848159  0.524499  1
  Zr  Zr21  1  0.559703  0.654492  0.477546  1
  Zr  Zr22  1  0.811262  0.927384  0.513791  1
  Zr  Zr23  1  0.476586  0.262378  0.510897  1
  Zr  Zr24  1  0.894379  0.319498  0.480441  1
  Zr  Zr25  1  0.739268  0.537188  0.545461  1
  Zr  Zr26  1  0.650366  0.852684  0.628957  1
  Zr  Zr27  1  0.696526  0.136930  0.558380  1
  Zr  Zr28  1  0.685182  0.249857  0.616120  1
  Zr  Zr29  1  0.068051  0.056710  0.569006  1
  Zr  Zr30  1  0.318972  0.330066  0.604827  1
  Zr  Zr31  1  0.982999  0.662579  0.602850  1
  Zr  Zr32  1  0.405767  0.723922  0.571557  1
  Zr  Zr33  1  0.240437  0.938475  0.637821  1
  Zr  Zr34  1  0.163402  0.273400  0.716259  1
  Zr  Zr35  1  0.209668  0.547248  0.649297  1
  Zr  Zr36  1  0.162813  0.649567  0.707627  1
  Zr  Zr37  1  0.569408  0.459357  0.659812  1
  Zr  Zr38  1  0.823596  0.743982  0.696594  1
  Zr  Zr39  1  0.481077  0.058014  0.694396  1
  Zr  Zr40  1  0.908673  0.132801  0.662611  1
  Ni  Ni41  1  0.174376  0.482870  0.311110  1
  Ni  Ni42  1  0.415713  0.578879  0.280740  1
  Ni  Ni43  1  0.946936  0.382689  0.343532  1
  Ni  Ni44  1  0.558120  0.411889  0.281120  1
  Ni  Ni45  1  0.793872  0.540708  0.344919  1
  Ni  Ni46  1  0.834533  0.905491  0.321863  1
  Ni  Ni47  1  0.520803  0.062123  0.301750  1
  Ni  Ni48  1  0.041852  0.080850  0.294730  1
  Ni  Ni49  1  0.133652  0.265746  0.329989  1
  Ni  Ni50  1  0.214182  0.700390  0.295146  1
  Ni  Ni51  1  0.493388  0.107254  0.351025  1
  Ni  Ni52  1  0.872159  0.840089  0.276627  1
  Ni  Ni53  1  0.662974  0.304421  0.319314  1
  Ni  Ni54  1  0.689038  0.658730  0.306339  1
  Ni  Ni55  1  0.358991  0.198413  0.308607  1
  Ni  Ni56  1  0.994562  0.768620  0.320514  1
  Ni  Ni57  1  0.915646  0.287617  0.292775  1
  Ni  Ni58  1  0.424933  0.674949  0.332116  1
  Ni  Ni59  1  0.593781  0.904602  0.351655  1
  Ni  Ni60  1  0.777791  0.045992  0.277398  1
  Ni  Ni61  1  0.319950  0.873415  0.331778  1
  Ni  Ni62  1  0.674634  0.886991  0.404003  1
  Ni  Ni63  1  0.904591  0.991925  0.372524  1
  Ni  Ni64  1  0.447358  0.782216  0.436175  1
  Ni  Ni65  1  0.058452  0.829731  0.372012  1
  Ni  Ni66  1  0.294085  0.942040  0.437022  1
  Ni  Ni67  1  0.353553  0.312842  0.413710  1
  Ni  Ni68  1  1.003966  0.464723  0.394642  1
  Ni  Ni69  1  0.535616  0.500028  0.383760  1
  Ni  Ni70  1  0.638730  0.670717  0.421422  1
  Ni  Ni71  1  0.713054  0.104074  0.387017  1
  Ni  Ni72  1  0.998271  0.507693  0.444806  1
  Ni  Ni73  1  0.355755  0.262120  0.364305  1
  Ni  Ni74  1  0.158375  0.703597  0.410977  1
  Ni  Ni75  1  0.194311  0.070996  0.397808  1
  Ni  Ni76  1  0.860441  0.610592  0.396409  1
  Ni  Ni77  1  0.494575  0.165546  0.411671  1
  Ni  Ni78  1  0.425279  0.694076  0.383830  1
  Ni  Ni79  1  0.927198  0.081368  0.424573  1
  Ni  Ni80  1  0.102748  0.308041  0.443972  1
  Ni  Ni81  1  0.254303  0.467659  0.364172  1
  Ni  Ni82  1  0.819258  0.274421  0.424959  1
  Ni  Ni83  1  0.185482  0.290938  0.495669  1
  Ni  Ni84  1  0.414711  0.397302  0.463631  1
  Ni  Ni85  1  0.956254  0.184574  0.527706  1
  Ni  Ni86  1  0.566895  0.236426  0.462463  1
  Ni  Ni87  1  0.804069  0.345450  0.528875  1
  Ni  Ni88  1  0.863168  0.715831  0.504855  1
  Ni  Ni89  1  0.507796  0.866045  0.486482  1
  Ni  Ni90  1  0.043105  0.904589  0.474924  1
  Ni  Ni91  1  0.148162  0.074088  0.512888  1
  Ni  Ni92  1  0.222803  0.507788  0.478450  1
  Ni  Ni93  1  0.507997  0.911515  0.536354  1
  Ni  Ni94  1  0.862968  0.670362  0.454984  1
  Ni  Ni95  1  0.665427  0.106155  0.502546  1
  Ni  Ni96  1  0.705538  0.475721  0.488792  1
  Ni  Ni97  1  0.367600  0.014699  0.487791  1
  Ni  Ni98  1  1.003364  0.567177  0.503547  1
  Ni  Ni99  1  0.933332  0.096825  0.475448  1
  Ni  Ni100  1  0.437632  0.485051  0.515890  1
  Ni  Ni101  1  0.612334  0.710995  0.535330  1
  Ni  Ni102  1  0.758630  0.870881  0.456008  1
  Ni  Ni103  1  0.327860  0.677287  0.516413  1
  Ni  Ni104  1  0.696331  0.694886  0.587335  1
  Ni  Ni105  1  0.923606  0.799660  0.555163  1
  Ni  Ni106  1  0.466374  0.589951  0.618814  1
  Ni  Ni107  1  0.076880  0.639836  0.554316  1
  Ni  Ni108  1  0.312512  0.752145  0.619326  1
  Ni  Ni109  1  0.366999  0.117153  0.596696  1
  Ni  Ni110  1  0.017411  0.269034  0.577627  1
  Ni  Ni111  1  0.551706  0.307455  0.566379  1
  Ni  Ni112  1  0.657911  0.477802  0.604321  1
  Ni  Ni113  1  0.732234  0.911159  0.569916  1
  Ni  Ni114  1  0.015210  0.319756  0.627033  1
  Ni  Ni115  1  0.372694  0.074184  0.546532  1
  Ni  Ni116  1  0.176653  0.510881  0.593530  1
  Ni  Ni117  1  0.212589  0.878280  0.580361  1
  Ni  Ni118  1  0.876390  0.416330  0.579667  1
  Ni  Ni119  1  0.510524  0.971284  0.594929  1
  Ni  Ni120  1  0.443766  0.500508  0.566764  1
  Ni  Ni121  1  0.945686  0.887800  0.607508  1
  Ni  Ni122  1  0.116662  0.114217  0.627165  1
  Ni  Ni123  1  0.268216  0.273835  0.547366  1
  Ni  Ni124  1  0.835348  0.081848  0.607577  1
  Ni  Ni125  1  0.196589  0.099006  0.680227  1
  Ni  Ni126  1  0.424029  0.199187  0.647805  1
  Ni  Ni127  1  0.955252  1.002997  0.710598  1
  Ni  Ni128  1  0.577093  0.041168  0.646419  1
  Ni  Ni129  1  0.812845  0.169987  0.710217  1
  Ni  Ni130  1  0.850161  0.519753  0.689588  1
  Ni  Ni131  1  0.536432  0.676386  0.669475  1
  Ni  Ni132  1  0.051014  0.708461  0.659560  1
  Ni  Ni133  1  0.156782  0.881486  0.696192  1
  Ni  Ni134  1  0.237313  0.316130  0.661349  1
  Ni  Ni135  1  0.498805  0.741787  0.714711  1
  Ni  Ni136  1  0.877576  0.474622  0.640313  1
  Ni  Ni137  1  0.681927  0.923146  0.684998  1
  Ni  Ni138  1  0.707991  0.277455  0.672024  1
  Ni  Ni139  1  0.376403  0.813257  0.670824  1
  Ni  Ni140  1  0.011974  0.383463  0.682730  1
  Ni  Ni141  1  0.946031  0.906928  0.659222  1
  Ni  Ni142  1  0.455319  0.294259  0.698562  1
  Ni  Ni143  1  0.593174  0.535884  0.713940  1
  Ni  Ni144  1  0.777183  0.677274  0.639683  1
  Ni  Ni145  1  0.329113  0.501027  0.696607  1
