# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82797752
_cell_length_b   8.79236985
_cell_length_c   45.60562425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.88057546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3534.61073015
_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  0.126314  0.055721  0.350647  1
  Zr  Zr2  1  0.087709  0.536492  0.332376  1
  Zr  Zr3  1  0.657885  0.467830  0.377624  1
  Zr  Zr4  1  0.552030  0.130914  0.302215  1
  Zr  Zr5  1  0.738598  0.879165  0.361684  1
  Zr  Zr6  1  0.480747  0.709639  0.318268  1
  Zr  Zr7  1  0.389868  0.218518  0.392124  1
  Zr  Zr8  1  0.822818  0.373228  0.292550  1
  Zr  Zr9  1  0.502500  0.307232  0.461343  1
  Zr  Zr10  1  0.471835  0.777827  0.441354  1
  Zr  Zr11  1  0.038553  0.714846  0.488978  1
  Zr  Zr12  1  0.937223  0.369667  0.414338  1
  Zr  Zr13  1  0.118192  0.126988  0.472796  1
  Zr  Zr14  1  0.856303  0.957754  0.429667  1
  Zr  Zr15  1  0.766506  0.464896  0.502964  1
  Zr  Zr16  1  0.206787  0.617934  0.400499  1
  Zr  Zr17  1  0.881991  0.555292  0.572013  1
  Zr  Zr18  1  0.850889  0.025840  0.552240  1
  Zr  Zr19  1  0.416920  0.962482  0.599641  1
  Zr  Zr20  1  0.315360  0.618393  0.524618  1
  Zr  Zr21  1  0.496777  0.375003  0.583636  1
  Zr  Zr22  1  0.235015  0.205958  0.540753  1
  Zr  Zr23  1  0.147054  0.715064  0.613095  1
  Zr  Zr24  1  0.586725  0.868364  0.510523  1
  Zr  Zr25  1  0.266565  0.794579  0.681375  1
  Zr  Zr26  1  0.225973  0.277003  0.662976  1
  Zr  Zr27  1  0.800601  0.197053  0.711432  1
  Zr  Zr28  1  0.697037  0.864361  0.636391  1
  Zr  Zr29  1  0.873102  0.624498  0.694998  1
  Zr  Zr30  1  0.614322  0.455155  0.651250  1
  Zr  Zr31  1  0.528496  0.968471  0.720101  1
  Zr  Zr32  1  0.962941  0.114932  0.621232  1
  Ni  Ni33  1  0.932733  0.661536  0.285729  1
  Ni  Ni34  1  0.728260  0.863642  0.302468  1
  Ni  Ni35  1  0.489068  0.725509  0.378602  1
  Ni  Ni36  1  0.131636  0.333776  0.372299  1
  Ni  Ni37  1  0.100165  0.257068  0.309254  1
  Ni  Ni38  1  0.877441  0.126832  0.380117  1
  Ni  Ni39  1  0.325792  0.457611  0.300670  1
  Ni  Ni40  1  0.284004  0.994959  0.304790  1
  Ni  Ni41  1  0.448266  0.974488  0.349371  1
  Ni  Ni42  1  0.773797  0.613360  0.329618  1
  Ni  Ni43  1  0.579305  0.405649  0.324143  1
  Ni  Ni44  1  0.633988  0.183744  0.356803  1
  Ni  Ni45  1  0.369102  0.494882  0.357135  1
  Ni  Ni46  1  0.848877  0.099371  0.322794  1
  Ni  Ni47  1  0.348594  0.246229  0.335279  1
  Ni  Ni48  1  0.875151  0.343051  0.346978  1
  Ni  Ni49  1  0.242321  0.776478  0.349597  1
  Ni  Ni50  1  0.979572  0.819434  0.331247  1
  Ni  Ni51  1  0.028328  0.856785  0.388025  1
  Ni  Ni52  1  0.196484  0.739800  0.297148  1
  Ni  Ni53  1  0.920974  0.620963  0.377106  1
  Ni  Ni54  1  0.299681  0.920252  0.395848  1
  Ni  Ni55  1  0.106996  0.111239  0.412944  1
  Ni  Ni56  1  0.868038  0.972859  0.489731  1
  Ni  Ni57  1  0.511747  0.587844  0.483979  1
  Ni  Ni58  1  0.464202  0.498451  0.418872  1
  Ni  Ni59  1  0.253702  0.374472  0.491583  1
  Ni  Ni60  1  0.717774  0.710493  0.411669  1
  Ni  Ni61  1  0.669563  0.221092  0.415074  1
  Ni  Ni62  1  0.824914  0.223181  0.461574  1
  Ni  Ni63  1  0.149481  0.861238  0.441187  1
  Ni  Ni64  1  0.964415  0.653011  0.433565  1
  Ni  Ni65  1  0.009151  0.432701  0.469551  1
  Ni  Ni66  1  0.754415  0.736235  0.468539  1
  Ni  Ni67  1  0.221028  0.347603  0.434338  1
  Ni  Ni68  1  0.721576  0.493054  0.444529  1
  Ni  Ni69  1  0.253459  0.590870  0.458262  1
  Ni  Ni70  1  0.617486  0.023142  0.459671  1
  Ni  Ni71  1  0.357403  0.062017  0.442971  1
  Ni  Ni72  1  0.405757  0.105629  0.498784  1
  Ni  Ni73  1  0.568467  0.979174  0.404063  1
  Ni  Ni74  1  0.306401  0.864189  0.487096  1
  Ni  Ni75  1  0.676515  0.166371  0.506826  1
  Ni  Ni76  1  0.485266  0.360061  0.523805  1
  Ni  Ni77  1  0.246339  0.221325  0.600596  1
  Ni  Ni78  1  0.889018  0.834522  0.594633  1
  Ni  Ni79  1  0.841478  0.745503  0.529474  1
  Ni  Ni80  1  0.635939  0.623286  0.601762  1
  Ni  Ni81  1  0.099781  0.958764  0.521966  1
  Ni  Ni82  1  0.047302  0.468768  0.526386  1
  Ni  Ni83  1  0.203807  0.471825  0.572345  1
  Ni  Ni84  1  0.528106  0.109516  0.552086  1
  Ni  Ni85  1  0.344261  0.900346  0.544083  1
  Ni  Ni86  1  0.389035  0.679833  0.580103  1
  Ni  Ni87  1  0.132961  0.985001  0.579304  1
  Ni  Ni88  1  0.599148  0.596922  0.544986  1
  Ni  Ni89  1  0.099790  0.742255  0.555203  1
  Ni  Ni90  1  0.631540  0.840260  0.568962  1
  Ni  Ni91  1  0.996172  0.271043  0.570503  1
  Ni  Ni92  1  0.735884  0.309569  0.553848  1
  Ni  Ni93  1  0.784895  0.354115  0.609221  1
  Ni  Ni94  1  0.947355  0.227499  0.514774  1
  Ni  Ni95  1  0.683395  0.111631  0.598658  1
  Ni  Ni96  1  0.053685  0.412088  0.617705  1
  Ni  Ni97  1  0.865161  0.607232  0.634719  1
  Ni  Ni98  1  0.634492  0.459794  0.709130  1
  Ni  Ni99  1  0.249188  0.073764  0.703622  1
  Ni  Ni100  1  0.220578  0.998269  0.641608  1
  Ni  Ni101  1  0.026963  0.875923  0.712751  1
  Ni  Ni102  1  0.475203  0.206698  0.633348  1
  Ni  Ni103  1  0.432549  0.712176  0.636797  1
  Ni  Ni104  1  0.577154  0.719103  0.684831  1
  Ni  Ni105  1  0.903067  0.359151  0.664294  1
  Ni  Ni106  1  0.717872  0.149423  0.656941  1
  Ni  Ni107  1  0.772891  0.925227  0.689565  1
  Ni  Ni108  1  0.502507  0.233700  0.690198  1
  Ni  Ni109  1  0.985989  0.836950  0.656656  1
  Ni  Ni110  1  0.476750  0.988637  0.666118  1
  Ni  Ni111  1  0.001917  0.086426  0.677909  1
  Ni  Ni112  1  0.374554  0.512170  0.682039  1
  Ni  Ni113  1  0.111162  0.556127  0.663777  1
  Ni  Ni114  1  0.155133  0.592173  0.715855  1
  Ni  Ni115  1  0.324864  0.476435  0.625501  1
  Ni  Ni116  1  0.066503  0.336920  0.708767  1
