# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67549250
_cell_length_b   8.71477303
_cell_length_c   52.93880505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.70174697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3533.69799309
_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  0.102298  0.280623  0.361963  1
  Zr  Zr2  1  0.268839  0.959081  0.295166  1
  Zr  Zr3  1  0.596457  0.600713  0.366303  1
  Zr  Zr4  1  0.760869  0.666288  0.289680  1
  Zr  Zr5  1  0.763473  0.221656  0.306682  1
  Zr  Zr6  1  0.604652  0.019328  0.350339  1
  Zr  Zr7  1  0.266778  0.460689  0.311824  1
  Zr  Zr8  1  0.102732  0.783907  0.342327  1
  Zr  Zr9  1  0.945071  0.998007  0.473691  1
  Zr  Zr10  1  0.115778  0.678577  0.404999  1
  Zr  Zr11  1  0.443843  0.317548  0.477524  1
  Zr  Zr12  1  0.617572  0.358829  0.401132  1
  Zr  Zr13  1  0.610177  0.938971  0.417210  1
  Zr  Zr14  1  0.450260  0.738053  0.461645  1
  Zr  Zr15  1  0.113356  0.177170  0.425183  1
  Zr  Zr16  1  0.948113  0.499763  0.453628  1
  Zr  Zr17  1  0.790980  0.715327  0.585526  1
  Zr  Zr18  1  0.960489  0.395884  0.516757  1
  Zr  Zr19  1  0.288704  0.035463  0.588890  1
  Zr  Zr20  1  0.462191  0.076064  0.512886  1
  Zr  Zr21  1  0.455686  0.655861  0.528756  1
  Zr  Zr22  1  0.296445  0.454536  0.573176  1
  Zr  Zr23  1  0.957696  0.894200  0.536783  1
  Zr  Zr24  1  0.792243  0.216154  0.565447  1
  Zr  Zr25  1  0.626353  0.447772  0.694950  1
  Zr  Zr26  1  0.805618  0.112820  0.629004  1
  Zr  Zr27  1  0.135602  0.721276  0.700399  1
  Zr  Zr28  1  0.313107  0.794213  0.623882  1
  Zr  Zr29  1  0.301902  0.375668  0.639851  1
  Zr  Zr30  1  0.134967  0.176317  0.682677  1
  Zr  Zr31  1  0.804020  0.609433  0.648091  1
  Zr  Zr32  1  0.635117  0.940540  0.678955  1
  Ni  Ni33  1  0.251704  0.254142  0.272341  1
  Ni  Ni34  1  0.973432  0.415608  0.281113  1
  Ni  Ni35  1  0.382927  0.835138  0.376948  1
  Ni  Ni36  1  0.096562  0.689720  0.293367  1
  Ni  Ni37  1  0.267682  0.558283  0.362479  1
  Ni  Ni38  1  0.764058  0.310952  0.354852  1
  Ni  Ni39  1  0.604561  0.933229  0.301979  1
  Ni  Ni40  1  0.439364  0.312652  0.353318  1
  Ni  Ni41  1  0.554839  0.405767  0.278163  1
  Ni  Ni42  1  0.820175  0.841175  0.379034  1
  Ni  Ni43  1  0.772254  0.760722  0.333170  1
  Ni  Ni44  1  0.600874  0.483516  0.321656  1
  Ni  Ni45  1  0.435760  0.748198  0.329754  1
  Ni  Ni46  1  0.927810  0.498660  0.324587  1
  Ni  Ni47  1  0.430946  0.683598  0.285807  1
  Ni  Ni48  1  0.918765  0.563548  0.367897  1
  Ni  Ni49  1  0.276613  0.046735  0.343077  1
  Ni  Ni50  1  0.094332  0.193229  0.312105  1
  Ni  Ni51  1  0.930443  0.037087  0.344683  1
  Ni  Ni52  1  0.434887  0.209087  0.311061  1
  Ni  Ni53  1  0.929640  0.939842  0.302740  1
  Ni  Ni54  1  0.107655  0.981197  0.383673  1
  Ni  Ni55  1  0.831071  0.124483  0.390497  1
  Ni  Ni56  1  0.229649  0.552998  0.488427  1
  Ni  Ni57  1  0.947093  0.400269  0.404005  1
  Ni  Ni58  1  0.114520  0.276272  0.474903  1
  Ni  Ni59  1  0.608406  0.027930  0.466648  1
  Ni  Ni60  1  0.452508  0.649263  0.412297  1
  Ni  Ni61  1  0.283234  0.028904  0.465387  1
  Ni  Ni62  1  0.395612  0.118807  0.388116  1
  Ni  Ni63  1  0.665225  0.558274  0.490484  1
  Ni  Ni64  1  0.616513  0.479047  0.444740  1
  Ni  Ni65  1  0.444755  0.197845  0.433936  1
  Ni  Ni66  1  0.282406  0.467917  0.442290  1
  Ni  Ni67  1  0.778605  0.209023  0.436512  1
  Ni  Ni68  1  0.295962  0.396552  0.399449  1
  Ni  Ni69  1  0.765410  0.281821  0.479222  1
  Ni  Ni70  1  0.120756  0.766518  0.455006  1
  Ni  Ni71  1  0.939936  0.910286  0.423741  1
  Ni  Ni72  1  0.776790  0.752097  0.456138  1
  Ni  Ni73  1  0.283784  0.924848  0.422745  1
  Ni  Ni74  1  0.777772  0.647741  0.413452  1
  Ni  Ni75  1  0.952774  0.696878  0.495219  1
  Ni  Ni76  1  0.676106  0.840861  0.501999  1
  Ni  Ni77  1  0.074556  0.269260  0.599799  1
  Ni  Ni78  1  0.791240  0.117747  0.515566  1
  Ni  Ni79  1  0.959139  0.993644  0.586508  1
  Ni  Ni80  1  0.454246  0.744276  0.577932  1
  Ni  Ni81  1  0.297366  0.365986  0.523704  1
  Ni  Ni82  1  0.128909  0.745974  0.576872  1
  Ni  Ni83  1  0.240494  0.835486  0.499874  1
  Ni  Ni84  1  0.510331  0.274509  0.602337  1
  Ni  Ni85  1  0.461489  0.196480  0.556381  1
  Ni  Ni86  1  0.289452  0.914385  0.545510  1
  Ni  Ni87  1  0.126938  0.185263  0.553818  1
  Ni  Ni88  1  0.623754  0.926329  0.548262  1
  Ni  Ni89  1  0.140591  0.111864  0.511186  1
  Ni  Ni90  1  0.610577  0.996346  0.591385  1
  Ni  Ni91  1  0.966173  0.483347  0.566634  1
  Ni  Ni92  1  0.784991  0.627723  0.535472  1
  Ni  Ni93  1  0.622810  0.468889  0.567685  1
  Ni  Ni94  1  0.129144  0.641622  0.534236  1
  Ni  Ni95  1  0.622698  0.365178  0.525002  1
  Ni  Ni96  1  0.798432  0.412017  0.606877  1
  Ni  Ni97  1  0.524127  0.559374  0.613419  1
  Ni  Ni98  1  0.953804  0.968997  0.708678  1
  Ni  Ni99  1  0.641975  0.836680  0.628580  1
  Ni  Ni100  1  0.800116  0.709928  0.696559  1
  Ni  Ni101  1  0.295530  0.461753  0.688059  1
  Ni  Ni102  1  0.144850  0.081478  0.634903  1
  Ni  Ni103  1  0.969153  0.456661  0.687421  1
  Ni  Ni104  1  0.086770  0.551894  0.611189  1
  Ni  Ni105  1  0.312973  0.984341  0.711730  1
  Ni  Ni106  1  0.301908  0.909205  0.668645  1
  Ni  Ni107  1  0.133845  0.633977  0.656707  1
  Ni  Ni108  1  0.974940  0.896232  0.665190  1
  Ni  Ni109  1  0.469580  0.648392  0.660581  1
  Ni  Ni110  1  0.991153  0.828136  0.622191  1
  Ni  Ni111  1  0.462245  0.719361  0.704080  1
  Ni  Ni112  1  0.800295  0.208733  0.679622  1
  Ni  Ni113  1  0.628291  0.345463  0.647625  1
  Ni  Ni114  1  0.462178  0.187153  0.680024  1
  Ni  Ni115  1  0.974543  0.356536  0.645753  1
  Ni  Ni116  1  0.467288  0.081999  0.637434  1
