# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70221660
_cell_length_b   12.62880873
_cell_length_c   48.64896925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.09146321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4714.721882
_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  0.304498  0.886032  0.292719  1
  Zr  Zr2  1  0.299106  0.042850  0.364318  1
  Zr  Zr3  1  0.794311  0.083322  0.320417  1
  Zr  Zr4  1  0.817808  0.859257  0.334811  1
  Zr  Zr5  1  0.871966  0.565417  0.318431  1
  Zr  Zr6  1  0.746590  0.362757  0.345673  1
  Zr  Zr7  1  0.351085  0.697970  0.344469  1
  Zr  Zr8  1  0.265158  0.238534  0.315568  1
  Zr  Zr9  1  0.235979  0.489543  0.377624  1
  Zr  Zr10  1  0.225017  0.648967  0.450815  1
  Zr  Zr11  1  0.717961  0.677172  0.405825  1
  Zr  Zr12  1  0.741834  0.460013  0.420135  1
  Zr  Zr13  1  0.783084  0.172075  0.396971  1
  Zr  Zr14  1  0.661693  0.963268  0.424192  1
  Zr  Zr15  1  0.272898  0.300597  0.427913  1
  Zr  Zr16  1  0.183120  0.835512  0.397433  1
  Zr  Zr17  1  0.137359  0.094298  0.456649  1
  Zr  Zr18  1  0.964286  0.267971  0.533896  1
  Zr  Zr19  1  0.448621  0.288303  0.491128  1
  Zr  Zr20  1  0.652679  0.073912  0.499367  1
  Zr  Zr21  1  0.700506  0.787624  0.480963  1
  Zr  Zr22  1  0.400934  0.574440  0.509581  1
  Zr  Zr23  1  0.186715  0.921258  0.509589  1
  Zr  Zr24  1  0.914680  0.440881  0.480947  1
  Zr  Zr25  1  0.876624  0.713150  0.539674  1
  Zr  Zr26  1  0.865440  0.872929  0.612789  1
  Zr  Zr27  1  0.358898  0.902401  0.570288  1
  Zr  Zr28  1  0.383289  0.684961  0.584687  1
  Zr  Zr29  1  0.439630  0.399025  0.566370  1
  Zr  Zr30  1  0.317797  0.189659  0.593461  1
  Zr  Zr31  1  0.918636  0.526689  0.593121  1
  Zr  Zr32  1  0.828337  0.061765  0.562567  1
  Zr  Zr33  1  0.800687  0.319367  0.626213  1
  Zr  Zr34  1  0.793125  0.470457  0.697158  1
  Zr  Zr35  1  0.276684  0.508401  0.656905  1
  Zr  Zr36  1  0.306262  0.281782  0.669865  1
  Zr  Zr37  1  0.353781  0.998621  0.644729  1
  Zr  Zr38  1  0.226382  0.792014  0.671974  1
  Zr  Zr39  1  0.834553  0.122780  0.674894  1
  Zr  Zr40  1  0.746658  0.664316  0.645356  1
  Ni  Ni41  1  0.339292  0.668035  0.288118  1
  Ni  Ni42  1  0.060687  0.733334  0.308378  1
  Ni  Ni43  1  0.556806  0.195160  0.352154  1
  Ni  Ni44  1  0.146134  0.878211  0.341392  1
  Ni  Ni45  1  0.468720  0.058314  0.315959  1
  Ni  Ni46  1  0.897851  0.525889  0.371256  1
  Ni  Ni47  1  0.698656  0.417597  0.291081  1
  Ni  Ni48  1  0.638947  0.923281  0.289132  1
  Ni  Ni49  1  0.616267  0.734080  0.303869  1
  Ni  Ni50  1  0.998150  0.197181  0.351732  1
  Ni  Ni51  1  0.926032  0.274981  0.304054  1
  Ni  Ni52  1  0.687314  0.688213  0.353008  1
  Ni  Ni53  1  0.593781  0.247670  0.303535  1
  Ni  Ni54  1  0.019667  0.694826  0.357605  1
  Ni  Ni55  1  0.487014  0.883135  0.336298  1
  Ni  Ni56  1  0.121926  0.051880  0.317356  1
  Ni  Ni57  1  0.422037  0.387942  0.337284  1
  Ni  Ni58  1  0.207956  0.539011  0.320976  1
  Ni  Ni59  1  0.073194  0.387151  0.339052  1
  Ni  Ni60  1  0.536490  0.549770  0.320415  1
  Ni  Ni61  1  0.964901  0.011291  0.368938  1
  Ni  Ni62  1  0.267958  0.267150  0.369950  1
  Ni  Ni63  1  0.980494  0.340100  0.389342  1
  Ni  Ni64  1  0.468865  0.799773  0.434870  1
  Ni  Ni65  1  0.065546  0.478594  0.427391  1
  Ni  Ni66  1  0.390565  0.654304  0.400644  1
  Ni  Ni67  1  0.797124  0.126243  0.450530  1
  Ni  Ni68  1  0.636694  0.008743  0.368736  1
  Ni  Ni69  1  0.565165  0.526500  0.370448  1
  Ni  Ni70  1  0.531624  0.341904  0.389058  1
  Ni  Ni71  1  0.916322  0.800007  0.436650  1
  Ni  Ni72  1  0.850111  0.845465  0.386272  1
  Ni  Ni73  1  0.613356  0.291876  0.439975  1
  Ni  Ni74  1  0.516569  0.837234  0.383767  1
  Ni  Ni75  1  0.942813  0.287075  0.439386  1
  Ni  Ni76  1  0.413830  0.484667  0.426697  1
  Ni  Ni77  1  0.047457  0.648681  0.404824  1
  Ni  Ni78  1  0.331519  0.994019  0.419635  1
  Ni  Ni79  1  0.112957  0.147514  0.402636  1
  Ni  Ni80  1  0.988095  0.985165  0.419069  1
  Ni  Ni81  1  0.458963  0.151165  0.402150  1
  Ni  Ni82  1  0.892404  0.619701  0.456110  1
  Ni  Ni83  1  0.186760  0.872644  0.453341  1
  Ni  Ni84  1  0.891351  0.951323  0.469847  1
  Ni  Ni85  1  0.210126  0.410915  0.520746  1
  Ni  Ni86  1  0.979099  0.096760  0.505765  1
  Ni  Ni87  1  0.122179  0.265542  0.484754  1
  Ni  Ni88  1  0.535936  0.736497  0.535499  1
  Ni  Ni89  1  0.565492  0.625668  0.454987  1
  Ni  Ni90  1  0.472009  0.131148  0.451674  1
  Ni  Ni91  1  0.449593  0.950986  0.469696  1
  Ni  Ni92  1  0.651986  0.411174  0.520756  1
  Ni  Ni93  1  0.577655  0.450636  0.470521  1
  Ni  Ni94  1  0.523638  0.911531  0.519928  1
  Ni  Ni95  1  0.246496  0.448433  0.470144  1
  Ni  Ni96  1  0.854877  0.913814  0.520370  1
  Ni  Ni97  1  0.314587  0.103258  0.504721  1
  Ni  Ni98  1  0.786712  0.258991  0.485820  1
  Ni  Ni99  1  0.069304  0.594382  0.502730  1
  Ni  Ni100  1  0.032166  0.767722  0.487798  1
  Ni  Ni101  1  0.723752  0.597803  0.502690  1
  Ni  Ni102  1  0.377694  0.764324  0.487820  1
  Ni  Ni103  1  0.629567  0.231079  0.538773  1
  Ni  Ni104  1  0.914846  0.489562  0.537225  1
  Ni  Ni105  1  0.632457  0.562309  0.555607  1
  Ni  Ni106  1  0.119625  0.022025  0.601185  1
  Ni  Ni107  1  0.711032  0.708051  0.589577  1
  Ni  Ni108  1  0.035544  0.883310  0.563095  1
  Ni  Ni109  1  0.461451  0.354222  0.621834  1
  Ni  Ni110  1  0.304514  0.236137  0.540061  1
  Ni  Ni111  1  0.209049  0.742321  0.534376  1
  Ni  Ni112  1  0.185241  0.562162  0.553959  1
  Ni  Ni113  1  0.569631  0.020856  0.601383  1
  Ni  Ni114  1  0.488039  0.070353  0.550453  1
  Ni  Ni115  1  0.251191  0.517249  0.604753  1
  Ni  Ni116  1  0.158348  0.075152  0.551116  1
  Ni  Ni117  1  0.584720  0.525072  0.606586  1
  Ni  Ni118  1  0.054183  0.713272  0.585879  1
  Ni  Ni119  1  0.686948  0.877891  0.563698  1
  Ni  Ni120  1  0.988198  0.214862  0.587885  1
  Ni  Ni121  1  0.769923  0.368229  0.570850  1
  Ni  Ni122  1  0.641407  0.211401  0.588328  1
  Ni  Ni123  1  0.113804  0.377253  0.571567  1
  Ni  Ni124  1  0.535651  0.835761  0.619532  1
  Ni  Ni125  1  0.832673  0.096041  0.620681  1
  Ni  Ni126  1  0.542264  0.167329  0.638375  1
  Ni  Ni127  1  0.009153  0.631528  0.682843  1
  Ni  Ni128  1  0.631092  0.303123  0.674547  1
  Ni  Ni129  1  0.951398  0.483358  0.649030  1
  Ni  Ni130  1  0.392743  0.943297  0.698934  1
  Ni  Ni131  1  0.203184  0.835694  0.619416  1
  Ni  Ni132  1  0.134909  0.351649  0.621632  1
  Ni  Ni133  1  0.103841  0.165264  0.638664  1
  Ni  Ni134  1  0.502235  0.628819  0.686653  1
  Ni  Ni135  1  0.413724  0.673244  0.637293  1
  Ni  Ni136  1  0.173594  0.090975  0.686274  1
  Ni  Ni137  1  0.077946  0.667430  0.633249  1
  Ni  Ni138  1  0.505511  0.113275  0.686864  1
  Ni  Ni139  1  0.978957  0.308511  0.673086  1
  Ni  Ni140  1  0.608884  0.478334  0.653800  1
  Ni  Ni141  1  0.889156  0.824954  0.668713  1
  Ni  Ni142  1  0.678530  0.974670  0.652827  1
  Ni  Ni143  1  0.559140  0.814602  0.669049  1
  Ni  Ni144  1  0.028671  0.974789  0.651629  1
  Ni  Ni145  1  0.460742  0.439655  0.701361  1
