# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55393113
_cell_length_b   11.79872773
_cell_length_c   55.60345465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.65308824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4270.75176035
_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  0.244607  0.297007  0.288175  1
  Zr  Zr2  1  0.750250  0.994326  0.328260  1
  Zr  Zr3  1  0.323629  0.720938  0.307150  1
  Zr  Zr4  1  0.655781  0.569290  0.312767  1
  Zr  Zr5  1  0.916922  0.374699  0.346818  1
  Zr  Zr6  1  0.052237  0.908089  0.274653  1
  Zr  Zr7  1  0.733936  0.251047  0.276194  1
  Zr  Zr8  1  0.256062  0.030351  0.343608  1
  Zr  Zr9  1  0.580258  0.768151  0.380703  1
  Zr  Zr10  1  0.097732  0.471070  0.420823  1
  Zr  Zr11  1  0.675117  0.195786  0.397488  1
  Zr  Zr12  1  1.002361  0.043840  0.402926  1
  Zr  Zr13  1  0.262126  0.851009  0.437874  1
  Zr  Zr14  1  0.418524  0.389210  0.363213  1
  Zr  Zr15  1  0.071992  0.734434  0.365897  1
  Zr  Zr16  1  0.605305  0.503402  0.435838  1
  Zr  Zr17  1  0.927635  0.243044  0.472086  1
  Zr  Zr18  1  0.445909  0.947716  0.512130  1
  Zr  Zr19  1  0.023511  0.671988  0.489399  1
  Zr  Zr20  1  0.350033  0.518773  0.494817  1
  Zr  Zr21  1  0.609162  0.325481  0.529646  1
  Zr  Zr22  1  0.764382  0.865279  0.454570  1
  Zr  Zr23  1  0.420211  0.211408  0.457085  1
  Zr  Zr24  1  0.953333  0.979352  0.527131  1
  Zr  Zr25  1  0.275812  0.719690  0.563392  1
  Zr  Zr26  1  0.793286  0.422610  0.603513  1
  Zr  Zr27  1  0.371183  0.146921  0.581290  1
  Zr  Zr28  1  0.698427  0.994974  0.586728  1
  Zr  Zr29  1  0.955020  0.801550  0.621002  1
  Zr  Zr30  1  0.111418  0.339751  0.546342  1
  Zr  Zr31  1  0.768239  0.687358  0.548377  1
  Zr  Zr32  1  0.301552  0.456326  0.618319  1
  Zr  Zr33  1  0.623294  0.196434  0.655956  1
  Zr  Zr34  1  0.128937  0.893754  0.696040  1
  Zr  Zr35  1  0.717763  0.621470  0.671449  1
  Zr  Zr36  1  0.049915  0.469823  0.677066  1
  Zr  Zr37  1  0.321307  0.282671  0.709562  1
  Zr  Zr38  1  0.456622  0.816062  0.637398  1
  Zr  Zr39  1  0.117482  0.160409  0.640608  1
  Zr  Zr40  1  0.639608  0.939713  0.708022  1
  Ni  Ni41  1  0.491765  0.143884  0.308177  1
  Ni  Ni42  1  0.582234  0.348028  0.316750  1
  Ni  Ni43  1  0.392862  0.940250  0.301128  1
  Ni  Ni44  1  0.585738  0.447350  0.275775  1
  Ni  Ni45  1  0.409313  0.848963  0.344101  1
  Ni  Ni46  1  0.273184  0.459467  0.321370  1
  Ni  Ni47  1  0.706540  0.823558  0.296195  1
  Ni  Ni48  1  0.384468  0.619522  0.349880  1
  Ni  Ni49  1  0.374493  0.090984  0.268376  1
  Ni  Ni50  1  0.594719  0.198426  0.349321  1
  Ni  Ni51  1  0.957137  0.671201  0.287162  1
  Ni  Ni52  1  0.023749  0.600745  0.329432  1
  Ni  Ni53  1  0.045484  0.846645  0.320614  1
  Ni  Ni54  1  0.936652  0.433146  0.299077  1
  Ni  Ni55  1  0.725237  0.751402  0.337117  1
  Ni  Ni56  1  0.261408  0.536954  0.281226  1
  Ni  Ni57  1  0.101730  0.081555  0.301191  1
  Ni  Ni58  1  0.879677  0.214397  0.315737  1
  Ni  Ni59  1  0.233391  0.242396  0.333986  1
  Ni  Ni60  1  0.733751  0.036212  0.282761  1
  Ni  Ni61  1  0.591758  0.662735  0.269891  1
  Ni  Ni62  1  0.839090  0.619824  0.401016  1
  Ni  Ni63  1  0.927868  0.825083  0.408902  1
  Ni  Ni64  1  0.751534  0.415112  0.392473  1
  Ni  Ni65  1  0.918754  0.916236  0.365654  1
  Ni  Ni66  1  0.760710  0.322042  0.434942  1
  Ni  Ni67  1  0.615457  0.935523  0.413335  1
  Ni  Ni68  1  0.063633  0.304523  0.387842  1
  Ni  Ni69  1  0.733912  0.095818  0.441040  1
  Ni  Ni70  1  0.736002  0.564687  0.360146  1
  Ni  Ni71  1  0.944167  0.675562  0.441685  1
  Ni  Ni72  1  0.307928  0.162559  0.379686  1
  Ni  Ni73  1  0.370047  0.078558  0.421026  1
  Ni  Ni74  1  0.398961  0.327535  0.411978  1
  Ni  Ni75  1  0.280114  0.913034  0.388978  1
  Ni  Ni76  1  0.078445  0.227012  0.428332  1
  Ni  Ni77  1  0.601358  0.012356  0.372511  1
  Ni  Ni78  1  0.454026  0.551401  0.394218  1
  Ni  Ni79  1  0.224721  0.687689  0.407412  1
  Ni  Ni80  1  0.579109  0.715902  0.426489  1
  Ni  Ni81  1  0.100177  0.523709  0.375275  1
  Ni  Ni82  1  0.944725  0.144537  0.359684  1
  Ni  Ni83  1  0.186772  0.095380  0.492108  1
  Ni  Ni84  1  0.274907  0.299699  0.500619  1
  Ni  Ni85  1  0.098637  0.891062  0.483596  1
  Ni  Ni86  1  0.264324  0.392113  0.457894  1
  Ni  Ni87  1  0.109220  0.798648  0.526322  1
  Ni  Ni88  1  0.963376  0.409870  0.505109  1
  Ni  Ni89  1  0.410169  0.780891  0.479107  1
  Ni  Ni90  1  0.081923  0.571433  0.532667  1
  Ni  Ni91  1  0.082090  0.040386  0.451040  1
  Ni  Ni92  1  0.291454  0.150374  0.533175  1
  Ni  Ni93  1  0.655192  0.638416  0.471540  1
  Ni  Ni94  1  0.718352  0.552344  0.512675  1
  Ni  Ni95  1  0.746500  0.804422  0.503325  1
  Ni  Ni96  1  0.627044  0.386338  0.480891  1
  Ni  Ni97  1  0.426851  0.702814  0.519694  1
  Ni  Ni98  1  0.946693  0.487947  0.464521  1
  Ni  Ni99  1  0.801396  0.027023  0.485490  1
  Ni  Ni100  1  0.572148  0.163738  0.498726  1
  Ni  Ni101  1  0.926296  0.190743  0.517935  1
  Ni  Ni102  1  0.447248  1.000017  0.466281  1
  Ni  Ni103  1  0.291621  0.619327  0.451549  1
  Ni  Ni104  1  0.534454  0.570936  0.583200  1
  Ni  Ni105  1  0.622010  0.775648  0.591743  1
  Ni  Ni106  1  0.445676  0.365677  0.575314  1
  Ni  Ni107  1  0.612834  0.868718  0.549273  1
  Ni  Ni108  1  0.454790  0.274524  0.618562  1
  Ni  Ni109  1  0.309911  0.886237  0.596373  1
  Ni  Ni110  1  0.758087  0.255237  0.570881  1
  Ni  Ni111  1  0.428819  0.046223  0.624532  1
  Ni  Ni112  1  0.429377  0.515198  0.542531  1
  Ni  Ni113  1  0.637542  0.626073  0.624069  1
  Ni  Ni114  1  1.003497  0.112203  0.563190  1
  Ni  Ni115  1  0.065616  0.028201  0.604530  1
  Ni  Ni116  1  0.093430  0.277726  0.595238  1
  Ni  Ni117  1  0.974584  0.863225  0.572238  1
  Ni  Ni118  1  0.772186  0.178404  0.611705  1
  Ni  Ni119  1  0.295099  0.963748  0.555883  1
  Ni  Ni120  1  0.148823  0.503071  0.576804  1
  Ni  Ni121  1  0.919518  0.639359  0.589998  1
  Ni  Ni122  1  0.273367  0.667052  0.608941  1
  Ni  Ni123  1  0.794435  0.474859  0.557727  1
  Ni  Ni124  1  0.639633  0.094942  0.543176  1
  Ni  Ni125  1  0.881779  0.046876  0.676039  1
  Ni  Ni126  1  0.980682  0.250510  0.683088  1
  Ni  Ni127  1  0.791310  0.842732  0.667465  1
  Ni  Ni128  1  0.964231  0.341798  0.640115  1
  Ni  Ni129  1  0.787807  0.743411  0.708441  1
  Ni  Ni130  1  0.667004  0.367203  0.688021  1
  Ni  Ni131  1  0.100360  0.731293  0.662846  1
  Ni  Ni132  1  0.781786  0.528026  0.714325  1
  Ni  Ni133  1  0.778825  0.992334  0.634894  1
  Ni  Ni134  1  0.999051  0.099777  0.715840  1
  Ni  Ni135  1  0.349795  0.590015  0.654783  1
  Ni  Ni136  1  0.416408  0.519559  0.697054  1
  Ni  Ni137  1  0.436892  0.757614  0.685138  1
  Ni  Ni138  1  0.328060  0.344115  0.663601  1
  Ni  Ni139  1  0.112136  0.653807  0.702990  1
  Ni  Ni140  1  0.648307  0.439358  0.647099  1
  Ni  Ni141  1  0.493867  0.976363  0.668479  1
  Ni  Ni142  1  0.271814  0.109205  0.683024  1
  Ni  Ni143  1  0.639793  0.154548  0.701454  1
  Ni  Ni144  1  0.140154  0.948364  0.650230  1
  Ni  Ni145  1  0.989076  0.571238  0.634336  1
