# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50105677
_cell_length_b   10.16012305
_cell_length_c   54.05844880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.54471718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3540.45893181
_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  0.313725  0.024150  0.309379  1
  Zr  Zr2  1  0.282145  0.721628  0.360508  1
  Zr  Zr3  1  0.630318  0.637247  0.296306  1
  Zr  Zr4  1  0.922903  0.111705  0.370954  1
  Zr  Zr5  1  0.556076  0.321791  0.332472  1
  Zr  Zr6  1  0.038865  0.415305  0.337441  1
  Zr  Zr7  1  0.840669  0.930528  0.301553  1
  Zr  Zr8  1  0.759335  0.809363  0.367884  1
  Zr  Zr9  1  0.936689  0.471221  0.420289  1
  Zr  Zr10  1  0.903199  0.164499  0.471397  1
  Zr  Zr11  1  0.279317  0.078891  0.408168  1
  Zr  Zr12  1  0.553153  0.556567  0.483369  1
  Zr  Zr13  1  0.178128  0.771327  0.443265  1
  Zr  Zr14  1  0.661972  0.863851  0.448771  1
  Zr  Zr15  1  0.460681  0.380795  0.413132  1
  Zr  Zr16  1  0.378339  0.254439  0.478753  1
  Zr  Zr17  1  0.558699  0.917148  0.531829  1
  Zr  Zr18  1  0.525516  0.610139  0.582817  1
  Zr  Zr19  1  0.908364  0.524996  0.519812  1
  Zr  Zr20  1  0.182956  0.002967  0.595049  1
  Zr  Zr21  1  0.799786  0.217682  0.554408  1
  Zr  Zr22  1  0.283510  0.310174  0.559945  1
  Zr  Zr23  1  0.083569  0.827124  0.524433  1
  Zr  Zr24  1  1.001863  0.700738  0.590002  1
  Zr  Zr25  1  0.179422  0.360371  0.642740  1
  Zr  Zr26  1  0.141181  0.059618  0.692538  1
  Zr  Zr27  1  0.539420  0.968218  0.632632  1
  Zr  Zr28  1  0.831845  0.442321  0.707033  1
  Zr  Zr29  1  0.423588  0.668158  0.665537  1
  Zr  Zr30  1  0.905966  0.761774  0.670649  1
  Zr  Zr31  1  0.701209  0.271815  0.635350  1
  Zr  Zr32  1  0.619225  0.155969  0.701097  1
  Ni  Ni33  1  0.976645  0.152160  0.277608  1
  Ni  Ni34  1  0.931445  0.167278  0.321664  1
  Ni  Ni35  1  0.666714  0.568109  0.343908  1
  Ni  Ni36  1  0.059904  0.927889  0.340884  1
  Ni  Ni37  1  0.547128  0.818254  0.328406  1
  Ni  Ni38  1  0.257639  0.180641  0.347756  1
  Ni  Ni39  1  0.326879  0.558493  0.324459  1
  Ni  Ni40  1  0.138433  0.318613  0.386391  1
  Ni  Ni41  1  0.764589  0.375218  0.375000  1
  Ni  Ni42  1  0.821444  0.378022  0.295872  1
  Ni  Ni43  1  0.072496  0.556564  0.292823  1
  Ni  Ni44  1  0.523345  0.196678  0.378609  1
  Ni  Ni45  1  0.942637  0.693500  0.328419  1
  Ni  Ni46  1  0.636509  0.053229  0.339055  1
  Ni  Ni47  1  0.224612  0.771676  0.305348  1
  Ni  Ni48  1  0.389991  0.966816  0.366496  1
  Ni  Ni49  1  0.984982  0.571229  0.374769  1
  Ni  Ni50  1  0.605423  0.178686  0.293447  1
  Ni  Ni51  1  0.211083  0.282723  0.300899  1
  Ni  Ni52  1  0.369561  0.460298  0.368197  1
  Ni  Ni53  1  0.435930  0.430343  0.287335  1
  Ni  Ni54  1  0.608800  0.596888  0.389863  1
  Ni  Ni55  1  0.552799  0.619292  0.435138  1
  Ni  Ni56  1  0.287719  0.015870  0.456450  1
  Ni  Ni57  1  0.685201  0.372556  0.453010  1
  Ni  Ni58  1  0.155292  0.262932  0.438868  1
  Ni  Ni59  1  0.883559  0.628211  0.459419  1
  Ni  Ni60  1  0.954637  0.007072  0.432726  1
  Ni  Ni61  1  0.762624  0.765722  0.497715  1
  Ni  Ni62  1  0.389655  0.818992  0.485674  1
  Ni  Ni63  1  0.449666  0.817884  0.406425  1
  Ni  Ni64  1  0.690769  0.992235  0.402391  1
  Ni  Ni65  1  0.147877  0.644319  0.489766  1
  Ni  Ni66  1  0.574592  0.138313  0.439381  1
  Ni  Ni67  1  0.262299  0.497966  0.452149  1
  Ni  Ni68  1  0.833081  0.222515  0.413578  1
  Ni  Ni69  1  0.008076  0.412191  0.478169  1
  Ni  Ni70  1  0.606568  0.016676  0.486456  1
  Ni  Ni71  1  0.232748  0.619760  0.405420  1
  Ni  Ni72  1  0.847603  0.728826  0.413014  1
  Ni  Ni73  1  0.992602  0.906349  0.479008  1
  Ni  Ni74  1  0.074907  0.871388  0.394480  1
  Ni  Ni75  1  0.230889  0.040803  0.501581  1
  Ni  Ni76  1  0.174109  0.065662  0.546723  1
  Ni  Ni77  1  0.908722  0.462224  0.568070  1
  Ni  Ni78  1  0.306528  0.818737  0.564341  1
  Ni  Ni79  1  0.777057  0.709160  0.550161  1
  Ni  Ni80  1  0.507054  0.074723  0.570479  1
  Ni  Ni81  1  0.578064  0.453058  0.543764  1
  Ni  Ni82  1  0.385878  0.209963  0.608809  1
  Ni  Ni83  1  0.011664  0.263627  0.596715  1
  Ni  Ni84  1  0.072080  0.262603  0.517519  1
  Ni  Ni85  1  0.313808  0.437259  0.513410  1
  Ni  Ni86  1  0.770029  0.089147  0.600843  1
  Ni  Ni87  1  0.199460  0.583542  0.551007  1
  Ni  Ni88  1  0.887701  0.943332  0.563890  1
  Ni  Ni89  1  0.454007  0.669369  0.525035  1
  Ni  Ni90  1  0.628781  0.859197  0.589593  1
  Ni  Ni91  1  0.229048  0.462003  0.597724  1
  Ni  Ni92  1  0.855233  0.064829  0.516751  1
  Ni  Ni93  1  0.469120  0.175259  0.524178  1
  Ni  Ni94  1  0.613765  0.352434  0.590231  1
  Ni  Ni95  1  0.699126  0.315841  0.505474  1
  Ni  Ni96  1  0.853346  0.483983  0.613417  1
  Ni  Ni97  1  0.794622  0.514940  0.659426  1
  Ni  Ni98  1  0.527263  0.917251  0.683301  1
  Ni  Ni99  1  0.912518  0.265104  0.674523  1
  Ni  Ni100  1  0.401181  0.153477  0.662109  1
  Ni  Ni101  1  0.134137  0.524863  0.678651  1
  Ni  Ni102  1  0.205343  0.901238  0.655459  1
  Ni  Ni103  1  0.026790  0.650700  0.715708  1
  Ni  Ni104  1  0.644604  0.698539  0.706468  1
  Ni  Ni105  1  0.698565  0.705726  0.627966  1
  Ni  Ni106  1  0.939365  0.884942  0.624576  1
  Ni  Ni107  1  0.390008  0.524018  0.710227  1
  Ni  Ni108  1  0.821666  0.028752  0.664082  1
  Ni  Ni109  1  0.517752  0.390192  0.674500  1
  Ni  Ni110  1  0.070291  0.114963  0.636720  1
  Ni  Ni111  1  0.235663  0.310470  0.697480  1
  Ni  Ni112  1  0.858978  0.902994  0.710008  1
  Ni  Ni113  1  0.476684  0.510681  0.628415  1
  Ni  Ni114  1  0.092218  0.621938  0.634947  1
  Ni  Ni115  1  0.251435  0.799596  0.702496  1
  Ni  Ni116  1  0.324078  0.762977  0.616684  1
