# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99958132
_cell_length_b   8.48822454
_cell_length_c   50.50047254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.48607169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4635.91002572
_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  0.225893  0.897823  0.334065  1
  Zr  Zr2  1  0.530108  0.490556  0.290188  1
  Zr  Zr3  1  0.908680  0.323374  0.292794  1
  Zr  Zr4  1  0.838898  0.074268  0.326643  1
  Zr  Zr5  1  0.789347  0.672876  0.339218  1
  Zr  Zr6  1  0.957555  0.720807  0.285186  1
  Zr  Zr7  1  0.482506  1.004276  0.304492  1
  Zr  Zr8  1  0.275639  0.390833  0.315909  1
  Zr  Zr9  1  0.814567  0.723322  0.417954  1
  Zr  Zr10  1  0.115691  0.315814  0.371168  1
  Zr  Zr11  1  0.498255  0.142714  0.377542  1
  Zr  Zr12  1  0.428658  0.895997  0.411206  1
  Zr  Zr13  1  0.379525  0.498585  0.422457  1
  Zr  Zr14  1  0.549512  0.537383  0.366352  1
  Zr  Zr15  1  0.064818  0.831347  0.389625  1
  Zr  Zr16  1  0.865677  0.208727  0.399707  1
  Zr  Zr17  1  0.403461  0.549595  0.501848  1
  Zr  Zr18  1  0.704506  0.141164  0.455004  1
  Zr  Zr19  1  0.090934  0.967984  0.461896  1
  Zr  Zr20  1  0.017141  0.722652  0.494959  1
  Zr  Zr21  1  0.968965  0.323541  0.506431  1
  Zr  Zr22  1  0.139102  0.367083  0.450411  1
  Zr  Zr23  1  0.653340  0.655076  0.473269  1
  Zr  Zr24  1  0.454632  0.035675  0.483586  1
  Zr  Zr25  1  0.992123  0.374733  0.585761  1
  Zr  Zr26  1  0.293355  0.967529  0.538877  1
  Zr  Zr27  1  0.679393  0.794564  0.545540  1
  Zr  Zr28  1  0.610215  0.547772  0.579308  1
  Zr  Zr29  1  0.558672  0.153402  0.590623  1
  Zr  Zr30  1  0.728441  0.192108  0.534410  1
  Zr  Zr31  1  0.242286  0.481974  0.557154  1
  Zr  Zr32  1  0.043092  0.859351  0.567210  1
  Zr  Zr33  1  0.578415  0.200781  0.665856  1
  Zr  Zr34  1  0.882175  0.792719  0.622753  1
  Zr  Zr35  1  0.268462  0.616151  0.630070  1
  Zr  Zr36  1  0.200816  0.364857  0.663982  1
  Zr  Zr37  1  0.151986  0.970296  0.671729  1
  Zr  Zr38  1  0.318727  0.018319  0.617765  1
  Zr  Zr39  1  0.831926  0.298766  0.641076  1
  Zr  Zr40  1  0.624363  0.689730  0.651863  1
  Ni  Ni41  1  0.568990  0.769426  0.269032  1
  Ni  Ni42  1  0.993150  0.807602  0.335600  1
  Ni  Ni43  1  0.752585  0.586381  0.288184  1
  Ni  Ni44  1  0.424352  0.254587  0.277800  1
  Ni  Ni45  1  0.322084  0.147790  0.342314  1
  Ni  Ni46  1  0.056760  0.977087  0.297759  1
  Ni  Ni47  1  0.701285  0.410684  0.324915  1
  Ni  Ni48  1  0.863392  0.038044  0.273393  1
  Ni  Ni49  1  0.728050  0.877569  0.297058  1
  Ni  Ni50  1  0.018252  0.509992  0.323878  1
  Ni  Ni51  1  0.118455  0.403678  0.280594  1
  Ni  Ni52  1  0.639105  0.983422  0.341020  1
  Ni  Ni53  1  0.514324  0.285586  0.331042  1
  Ni  Ni54  1  0.247633  0.105945  0.291490  1
  Ni  Ni55  1  0.662862  0.189321  0.293981  1
  Ni  Ni56  1  0.088962  0.211627  0.322867  1
  Ni  Ni57  1  0.381727  0.614867  0.331755  1
  Ni  Ni58  1  0.361952  0.777494  0.291280  1
  Ni  Ni59  1  0.172987  0.673763  0.303233  1
  Ni  Ni60  1  0.572544  0.718551  0.318990  1
  Ni  Ni61  1  0.891424  0.349697  0.350130  1
  Ni  Ni62  1  0.167753  0.608524  0.352292  1
  Ni  Ni63  1  0.583900  0.629169  0.419494  1
  Ni  Ni64  1  0.344735  0.407225  0.369268  1
  Ni  Ni65  1  0.018452  0.066255  0.359765  1
  Ni  Ni66  1  0.912162  0.972894  0.429527  1
  Ni  Ni67  1  0.639799  0.799178  0.381235  1
  Ni  Ni68  1  0.288128  0.241444  0.408230  1
  Ni  Ni69  1  0.448374  0.866302  0.354457  1
  Ni  Ni70  1  0.319018  0.704807  0.380648  1
  Ni  Ni71  1  0.610434  0.333921  0.408278  1
  Ni  Ni72  1  0.702619  0.226465  0.364431  1
  Ni  Ni73  1  0.228075  0.809406  0.425004  1
  Ni  Ni74  1  0.100951  0.117674  0.416340  1
  Ni  Ni75  1  0.829761  0.921198  0.372909  1
  Ni  Ni76  1  0.249320  1.010796  0.381470  1
  Ni  Ni77  1  0.681698  0.032746  0.406845  1
  Ni  Ni78  1  0.971819  0.439402  0.415234  1
  Ni  Ni79  1  0.958102  0.599163  0.373934  1
  Ni  Ni80  1  0.765072  0.497171  0.386550  1
  Ni  Ni81  1  0.164281  0.541829  0.402457  1
  Ni  Ni82  1  0.480570  0.174838  0.434114  1
  Ni  Ni83  1  0.759604  0.432119  0.436463  1
  Ni  Ni84  1  0.172640  0.455916  0.503398  1
  Ni  Ni85  1  0.935344  0.234791  0.453457  1
  Ni  Ni86  1  0.607093  0.891296  0.443738  1
  Ni  Ni87  1  0.500778  0.799472  0.513129  1
  Ni  Ni88  1  0.230547  0.624910  0.465016  1
  Ni  Ni89  1  0.877462  0.065789  0.491826  1
  Ni  Ni90  1  0.038508  0.689474  0.438743  1
  Ni  Ni91  1  0.908299  0.529879  0.464710  1
  Ni  Ni92  1  0.199731  0.160812  0.492132  1
  Ni  Ni93  1  0.291619  0.055687  0.447998  1
  Ni  Ni94  1  0.816519  0.634804  0.508836  1
  Ni  Ni95  1  0.688829  0.944459  0.500251  1
  Ni  Ni96  1  0.419104  0.746413  0.456577  1
  Ni  Ni97  1  0.835543  0.831643  0.466050  1
  Ni  Ni98  1  0.272464  0.859022  0.490807  1
  Ni  Ni99  1  0.560642  0.266508  0.499183  1
  Ni  Ni100  1  0.547353  0.424247  0.457668  1
  Ni  Ni101  1  0.354465  0.324079  0.470365  1
  Ni  Ni102  1  0.753570  0.366607  0.486489  1
  Ni  Ni103  1  0.069499  1.001242  0.518104  1
  Ni  Ni104  1  0.348343  0.258665  0.520389  1
  Ni  Ni105  1  0.763449  0.283479  0.587639  1
  Ni  Ni106  1  0.524089  0.061646  0.537352  1
  Ni  Ni107  1  0.195866  0.717810  0.527348  1
  Ni  Ni108  1  0.089150  0.624431  0.597017  1
  Ni  Ni109  1  0.819995  0.448927  0.548576  1
  Ni  Ni110  1  0.468181  0.891876  0.575590  1
  Ni  Ni111  1  0.627397  0.515836  0.522725  1
  Ni  Ni112  1  0.497569  0.356754  0.548571  1
  Ni  Ni113  1  0.788989  0.985703  0.576152  1
  Ni  Ni114  1  0.879932  0.881271  0.531815  1
  Ni  Ni115  1  0.405353  0.464201  0.592379  1
  Ni  Ni116  1  0.277913  0.770167  0.583899  1
  Ni  Ni117  1  1.007106  0.572883  0.540546  1
  Ni  Ni118  1  0.426358  0.657938  0.550051  1
  Ni  Ni119  1  0.858558  0.679295  0.575408  1
  Ni  Ni120  1  0.149947  0.091340  0.582929  1
  Ni  Ni121  1  0.136126  0.251351  0.541643  1
  Ni  Ni122  1  0.943761  0.148807  0.554396  1
  Ni  Ni123  1  0.343014  0.193486  0.570325  1
  Ni  Ni124  1  0.659888  0.823823  0.602227  1
  Ni  Ni125  1  0.940255  0.081858  0.604544  1
  Ni  Ni126  1  0.358659  0.101732  0.668806  1
  Ni  Ni127  1  0.114923  0.882914  0.621315  1
  Ni  Ni128  1  0.785663  0.542976  0.614806  1
  Ni  Ni129  1  0.681173  0.438281  0.678378  1
  Ni  Ni130  1  0.406694  0.279805  0.631854  1
  Ni  Ni131  1  0.051080  0.713489  0.659198  1
  Ni  Ni132  1  0.216227  0.340972  0.606675  1
  Ni  Ni133  1  0.089195  0.180633  0.632937  1
  Ni  Ni134  1  0.378871  0.811870  0.659222  1
  Ni  Ni135  1  0.468655  0.707523  0.615601  1
  Ni  Ni136  1  0.989866  0.288041  0.676188  1
  Ni  Ni137  1  0.858380  0.586211  0.665229  1
  Ni  Ni138  1  0.593379  0.406875  0.625839  1
  Ni  Ni139  1  0.018843  0.479128  0.634121  1
  Ni  Ni140  1  0.444893  0.501370  0.662700  1
  Ni  Ni141  1  0.746231  0.913089  0.665438  1
  Ni  Ni142  1  0.726800  0.074154  0.625000  1
  Ni  Ni143  1  0.535503  0.972157  0.637316  1
  Ni  Ni144  1  0.935190  0.016456  0.653745  1
  Ni  Ni145  1  0.244827  0.651995  0.683343  1
