# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67880552
_cell_length_b   12.77845833
_cell_length_c   45.57573400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.29841357
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4260.30379354
_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  0.092139  0.729587  0.337225  1
  Zr  Zr2  1  0.109652  0.083279  0.307716  1
  Zr  Zr3  1  0.525772  0.242171  0.308009  1
  Zr  Zr4  1  0.684862  0.570992  0.336509  1
  Zr  Zr5  1  0.654241  0.989296  0.348117  1
  Zr  Zr6  1  0.547895  0.819522  0.299678  1
  Zr  Zr7  1  0.222610  0.496356  0.298539  1
  Zr  Zr8  1  0.991651  0.317396  0.347355  1
  Zr  Zr9  1  0.081330  0.124444  0.429545  1
  Zr  Zr10  1  0.114829  0.477134  0.397899  1
  Zr  Zr11  1  0.518806  0.639209  0.399755  1
  Zr  Zr12  1  0.676808  0.963068  0.427285  1
  Zr  Zr13  1  0.654795  0.383642  0.440078  1
  Zr  Zr14  1  0.539314  0.221650  0.387360  1
  Zr  Zr15  1  0.210928  0.890173  0.389787  1
  Zr  Zr16  1  0.988337  0.712268  0.437171  1
  Zr  Zr17  1  0.079547  0.522032  0.520988  1
  Zr  Zr18  1  0.116363  0.874469  0.488698  1
  Zr  Zr19  1  0.519810  0.036024  0.490398  1
  Zr  Zr20  1  0.675970  0.360464  0.519231  1
  Zr  Zr21  1  0.655749  0.779307  0.531215  1
  Zr  Zr22  1  0.540186  0.617002  0.478512  1
  Zr  Zr23  1  0.206857  0.287346  0.481248  1
  Zr  Zr24  1  0.988489  0.109222  0.528314  1
  Zr  Zr25  1  0.081378  0.919118  0.611628  1
  Zr  Zr26  1  0.113713  0.271623  0.580167  1
  Zr  Zr27  1  0.518866  0.433051  0.582352  1
  Zr  Zr28  1  0.676937  0.757342  0.610092  1
  Zr  Zr29  1  0.655608  0.175005  0.622276  1
  Zr  Zr30  1  0.540435  0.012750  0.569592  1
  Zr  Zr31  1  0.208233  0.684083  0.572316  1
  Zr  Zr32  1  0.984301  0.505958  0.620026  1
  Zr  Zr33  1  0.086220  0.313486  0.701873  1
  Zr  Zr34  1  0.104925  0.666431  0.671354  1
  Zr  Zr35  1  0.512664  0.824249  0.674493  1
  Zr  Zr36  1  0.669990  0.154419  0.701605  1
  Zr  Zr37  1  0.645187  0.579051  0.710177  1
  Zr  Zr38  1  0.540790  0.407271  0.661581  1
  Zr  Zr39  1  0.205581  0.077981  0.662596  1
  Zr  Zr40  1  0.969750  0.907380  0.709039  1
  Ni  Ni41  1  0.113069  0.714421  0.275202  1
  Ni  Ni42  1  0.875716  0.654053  0.298855  1
  Ni  Ni43  1  0.341056  0.159648  0.343580  1
  Ni  Ni44  1  0.026342  0.535753  0.344578  1
  Ni  Ni45  1  0.181899  0.280567  0.299680  1
  Ni  Ni46  1  0.742444  0.766704  0.343757  1
  Ni  Ni47  1  0.464508  0.042257  0.298221  1
  Ni  Ni48  1  0.411625  0.752496  0.347963  1
  Ni  Ni49  1  0.400707  0.652096  0.300629  1
  Ni  Ni50  1  0.800619  0.160903  0.344296  1
  Ni  Ni51  1  0.636634  0.365233  0.347182  1
  Ni  Ni52  1  0.578780  0.444655  0.299324  1
  Ni  Ni53  1  0.306449  0.365436  0.347630  1
  Ni  Ni54  1  0.910753  0.447654  0.299158  1
  Ni  Ni55  1  0.363800  0.550154  0.348341  1
  Ni  Ni56  1  0.840646  0.266873  0.299386  1
  Ni  Ni57  1  0.202957  0.862526  0.302838  1
  Ni  Ni58  1  0.998328  0.953358  0.342570  1
  Ni  Ni59  1  0.865462  0.863028  0.301637  1
  Ni  Ni60  1  0.345660  0.951560  0.342253  1
  Ni  Ni61  1  0.792436  0.060452  0.297777  1
  Ni  Ni62  1  0.100158  0.103913  0.367555  1
  Ni  Ni63  1  0.858295  0.048595  0.391446  1
  Ni  Ni64  1  0.337852  0.554902  0.436098  1
  Ni  Ni65  1  0.015730  0.928651  0.436233  1
  Ni  Ni66  1  0.180251  0.671669  0.390468  1
  Ni  Ni67  1  0.725135  0.163861  0.435778  1
  Ni  Ni68  1  0.463400  0.439477  0.391465  1
  Ni  Ni69  1  0.403928  0.147794  0.439703  1
  Ni  Ni70  1  0.396180  0.047720  0.391766  1
  Ni  Ni71  1  0.801256  0.556145  0.435116  1
  Ni  Ni72  1  0.633242  0.761766  0.437618  1
  Ni  Ni73  1  0.565537  0.841748  0.387274  1
  Ni  Ni74  1  0.302879  0.760487  0.441007  1
  Ni  Ni75  1  0.896469  0.842833  0.385836  1
  Ni  Ni76  1  0.355142  0.946550  0.440203  1
  Ni  Ni77  1  0.841795  0.656411  0.386904  1
  Ni  Ni78  1  0.201263  0.254314  0.394101  1
  Ni  Ni79  1  0.997788  0.347928  0.433481  1
  Ni  Ni80  1  0.852360  0.256694  0.393715  1
  Ni  Ni81  1  0.344974  0.345873  0.434598  1
  Ni  Ni82  1  0.786215  0.455256  0.388002  1
  Ni  Ni83  1  0.097465  0.499910  0.459421  1
  Ni  Ni84  1  0.856557  0.445043  0.482696  1
  Ni  Ni85  1  0.339438  0.951424  0.526962  1
  Ni  Ni86  1  0.014910  0.325941  0.527770  1
  Ni  Ni87  1  0.180848  0.070669  0.481918  1
  Ni  Ni88  1  0.725339  0.560873  0.527167  1
  Ni  Ni89  1  0.471147  0.835490  0.482542  1
  Ni  Ni90  1  0.404101  0.544844  0.531229  1
  Ni  Ni91  1  0.394315  0.444460  0.483656  1
  Ni  Ni92  1  0.801290  0.951985  0.525992  1
  Ni  Ni93  1  0.634341  0.157102  0.529550  1
  Ni  Ni94  1  0.561079  0.239314  0.480167  1
  Ni  Ni95  1  0.303372  0.157248  0.532262  1
  Ni  Ni96  1  0.892014  0.239263  0.477328  1
  Ni  Ni97  1  0.354228  0.343347  0.531694  1
  Ni  Ni98  1  0.841447  0.053069  0.477940  1
  Ni  Ni99  1  0.197762  0.651752  0.485120  1
  Ni  Ni100  1  0.997998  0.744752  0.524531  1
  Ni  Ni101  1  0.850529  0.653975  0.484332  1
  Ni  Ni102  1  0.345491  0.742550  0.525320  1
  Ni  Ni103  1  0.792297  0.851534  0.478392  1
  Ni  Ni104  1  0.098659  0.896560  0.550217  1
  Ni  Ni105  1  0.857984  0.841622  0.573497  1
  Ni  Ni106  1  0.337134  0.347297  0.618197  1
  Ni  Ni107  1  0.016174  0.724007  0.618767  1
  Ni  Ni108  1  0.179671  0.467593  0.573485  1
  Ni  Ni109  1  0.730638  0.957677  0.617997  1
  Ni  Ni110  1  0.469595  0.232403  0.573885  1
  Ni  Ni111  1  0.409457  0.939844  0.622339  1
  Ni  Ni112  1  0.395046  0.840458  0.574649  1
  Ni  Ni113  1  0.799304  0.348653  0.617923  1
  Ni  Ni114  1  0.630537  0.554670  0.622619  1
  Ni  Ni115  1  0.563150  0.634414  0.572141  1
  Ni  Ni116  1  0.300040  0.553132  0.623683  1
  Ni  Ni117  1  0.893133  0.635994  0.568808  1
  Ni  Ni118  1  0.354855  0.739529  0.622747  1
  Ni  Ni119  1  0.840456  0.449823  0.569539  1
  Ni  Ni120  1  0.197523  0.048700  0.576088  1
  Ni  Ni121  1  0.994142  0.141648  0.615746  1
  Ni  Ni122  1  0.850770  0.050649  0.575035  1
  Ni  Ni123  1  0.343165  0.138709  0.615987  1
  Ni  Ni124  1  0.791188  0.248589  0.569970  1
  Ni  Ni125  1  0.095826  0.291881  0.642125  1
  Ni  Ni126  1  0.854395  0.237399  0.666077  1
  Ni  Ni127  1  0.300764  0.741318  0.711227  1
  Ni  Ni128  1  0.014290  0.118085  0.710032  1
  Ni  Ni129  1  0.172116  0.859909  0.664710  1
  Ni  Ni130  1  0.730477  0.354839  0.711431  1
  Ni  Ni131  1  0.451758  0.630601  0.666069  1
  Ni  Ni132  1  0.402494  0.335320  0.711887  1
  Ni  Ni133  1  0.395748  0.234642  0.665361  1
  Ni  Ni134  1  0.818521  0.742406  0.709637  1
  Ni  Ni135  1  0.618228  0.949948  0.711247  1
  Ni  Ni136  1  0.563107  0.029126  0.663185  1
  Ni  Ni137  1  0.284169  0.947942  0.710900  1
  Ni  Ni138  1  0.890305  0.032071  0.661079  1
  Ni  Ni139  1  0.356276  0.128762  0.710415  1
  Ni  Ni140  1  0.833463  0.845314  0.660801  1
  Ni  Ni141  1  0.197473  0.442580  0.666894  1
  Ni  Ni142  1  0.993218  0.532913  0.706299  1
  Ni  Ni143  1  0.849360  0.445279  0.667463  1
  Ni  Ni144  1  0.329720  0.532040  0.707507  1
  Ni  Ni145  1  0.783983  0.644571  0.662087  1
