# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64709848
_cell_length_b   8.71300086
_cell_length_c   54.03712382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.35020934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr32 Ni84'
_cell_volume   3483.39753134
_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  0.526708  0.104192  0.382244  1
  Zr  Zr2  1  0.457705  0.366577  0.288991  1
  Zr  Zr3  1  0.885300  0.579663  0.303761  1
  Zr  Zr4  1  0.105240  0.901117  0.362871  1
  Zr  Zr5  1  0.028010  0.128055  0.307326  1
  Zr  Zr6  1  0.966723  0.329914  0.360711  1
  Zr  Zr7  1  0.603375  0.906009  0.327731  1
  Zr  Zr8  1  0.393987  0.557421  0.342075  1
  Zr  Zr9  1  0.633052  0.368011  0.493243  1
  Zr  Zr10  1  0.574641  0.630166  0.397785  1
  Zr  Zr11  1  0.997787  0.830761  0.417120  1
  Zr  Zr12  1  0.209054  0.165951  0.473985  1
  Zr  Zr13  1  0.133675  0.400145  0.418406  1
  Zr  Zr14  1  0.073336  0.596859  0.472645  1
  Zr  Zr15  1  0.705061  0.172855  0.438193  1
  Zr  Zr16  1  0.502519  0.824397  0.453016  1
  Zr  Zr17  1  0.738915  0.633647  0.604715  1
  Zr  Zr18  1  0.680503  0.895802  0.509257  1
  Zr  Zr19  1  0.104502  0.097862  0.528516  1
  Zr  Zr20  1  0.315769  0.433053  0.585380  1
  Zr  Zr21  1  0.240220  0.666954  0.529856  1
  Zr  Zr22  1  0.179881  0.863668  0.584094  1
  Zr  Zr23  1  0.811037  0.439416  0.549484  1
  Zr  Zr24  1  0.608494  0.090958  0.564307  1
  Zr  Zr25  1  0.855851  0.897236  0.713509  1
  Zr  Zr26  1  0.786848  0.159622  0.620256  1
  Zr  Zr27  1  0.208315  0.362697  0.639629  1
  Zr  Zr28  1  0.428255  0.684150  0.698739  1
  Zr  Zr29  1  0.346832  0.933899  0.641789  1
  Zr  Zr30  1  0.285546  0.135758  0.695174  1
  Zr  Zr31  1  0.919569  0.706392  0.660425  1
  Zr  Zr32  1  0.710181  0.357804  0.674769  1
  Ni  Ni33  1  0.496945  0.237432  0.333508  1
  Ni  Ni34  1  0.267312  0.104411  0.344662  1
  Ni  Ni35  1  0.732455  0.366299  0.321686  1
  Ni  Ni36  1  0.445677  0.835048  0.365269  1
  Ni  Ni37  1  0.537100  0.637283  0.304185  1
  Ni  Ni38  1  0.955903  0.861313  0.280581  1
  Ni  Ni39  1  0.920518  0.593481  0.388420  1
  Ni  Ni40  1  0.635342  0.850840  0.282377  1
  Ni  Ni41  1  0.804679  0.103800  0.345688  1
  Ni  Ni42  1  0.181229  0.363616  0.320827  1
  Ni  Ni43  1  0.046665  0.611449  0.346995  1
  Ni  Ni44  1  0.944316  0.852622  0.322939  1
  Ni  Ni45  1  0.718841  0.610676  0.348706  1
  Ni  Ni46  1  0.277720  0.861774  0.318298  1
  Ni  Ni47  1  0.789494  0.846421  0.370741  1
  Ni  Ni48  1  0.194278  0.631451  0.302025  1
  Ni  Ni49  1  0.634658  0.360371  0.369753  1
  Ni  Ni50  1  0.375183  0.096493  0.298304  1
  Ni  Ni51  1  0.285040  0.362467  0.369394  1
  Ni  Ni52  1  0.712105  0.099445  0.299080  1
  Ni  Ni53  1  0.238601  0.627256  0.387667  1
  Ni  Ni54  1  0.603881  0.498784  0.445507  1
  Ni  Ni55  1  0.372662  0.368521  0.456675  1
  Ni  Ni56  1  0.834978  0.628729  0.434294  1
  Ni  Ni57  1  0.550976  0.100966  0.476716  1
  Ni  Ni58  1  0.655682  0.896916  0.414566  1
  Ni  Ni59  1  0.180316  0.136141  0.390789  1
  Ni  Ni60  1  0.026890  0.862499  0.500264  1
  Ni  Ni61  1  0.861075  0.104466  0.392063  1
  Ni  Ni62  1  0.912143  0.365458  0.457201  1
  Ni  Ni63  1  0.295485  0.631747  0.433852  1
  Ni  Ni64  1  0.153819  0.881404  0.459210  1
  Ni  Ni65  1  0.053477  0.115463  0.431799  1
  Ni  Ni66  1  0.823613  0.876395  0.461151  1
  Ni  Ni67  1  0.383373  0.121320  0.430044  1
  Ni  Ni68  1  0.894349  0.113042  0.481683  1
  Ni  Ni69  1  0.312768  0.884877  0.409522  1
  Ni  Ni70  1  0.740824  0.623665  0.481570  1
  Ni  Ni71  1  0.466218  0.374756  0.409371  1
  Ni  Ni72  1  0.393480  0.628993  0.481072  1
  Ni  Ni73  1  0.813315  0.368185  0.409891  1
  Ni  Ni74  1  0.346614  0.893997  0.498996  1
  Ni  Ni75  1  0.709674  0.765029  0.556993  1
  Ni  Ni76  1  0.478578  0.635084  0.568207  1
  Ni  Ni77  1  0.940894  0.895292  0.545826  1
  Ni  Ni78  1  0.657874  0.366897  0.587934  1
  Ni  Ni79  1  0.762580  0.162848  0.525784  1
  Ni  Ni80  1  0.286665  0.401314  0.502236  1
  Ni  Ni81  1  0.133240  0.127672  0.611711  1
  Ni  Ni82  1  0.966941  0.369817  0.503504  1
  Ni  Ni83  1  0.018070  0.632066  0.568648  1
  Ni  Ni84  1  0.401412  0.898355  0.545299  1
  Ni  Ni85  1  0.260078  0.148350  0.570701  1
  Ni  Ni86  1  0.159736  0.382409  0.543290  1
  Ni  Ni87  1  0.930182  0.142493  0.572456  1
  Ni  Ni88  1  0.489942  0.387418  0.541349  1
  Ni  Ni89  1  1.000787  0.378936  0.592978  1
  Ni  Ni90  1  0.419207  0.150771  0.520817  1
  Ni  Ni91  1  0.847338  0.889057  0.593129  1
  Ni  Ni92  1  0.572732  0.640149  0.520930  1
  Ni  Ni93  1  0.500241  0.895628  0.592609  1
  Ni  Ni94  1  0.920075  0.634820  0.521428  1
  Ni  Ni95  1  0.452481  0.159348  0.610437  1
  Ni  Ni96  1  0.816611  0.026381  0.668993  1
  Ni  Ni97  1  0.581101  0.897514  0.680814  1
  Ni  Ni98  1  0.046244  0.159402  0.657838  1
  Ni  Ni99  1  0.776455  0.626530  0.698315  1
  Ni  Ni100  1  0.867879  0.428766  0.637232  1
  Ni  Ni101  1  0.393037  0.670332  0.614080  1
  Ni  Ni102  1  0.357652  0.402500  0.721919  1
  Ni  Ni103  1  0.074955  0.636558  0.614833  1
  Ni  Ni104  1  0.132326  0.900197  0.681673  1
  Ni  Ni105  1  0.508876  0.160013  0.656813  1
  Ni  Ni106  1  0.369239  0.411191  0.679561  1
  Ni  Ni107  1  0.266891  0.652365  0.655505  1
  Ni  Ni108  1  0.035836  0.402040  0.684202  1
  Ni  Ni109  1  0.594715  0.653138  0.653794  1
  Ni  Ni110  1  0.119278  0.632362  0.700476  1
  Ni  Ni111  1  0.524061  0.417392  0.631759  1
  Ni  Ni112  1  0.938373  0.167321  0.704197  1
  Ni  Ni113  1  0.678897  0.903442  0.632747  1
  Ni  Ni114  1  0.601451  0.164368  0.703420  1
  Ni  Ni115  1  0.028515  0.901346  0.633106  1
  Ni  Ni116  1  0.678214  0.412974  0.720123  1
