# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69162279
_cell_length_b   10.99096532
_cell_length_c   49.93880896
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.27389322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr40 Ni105'
_cell_volume   4702.05063054
_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  0.999133  0.543597  0.297197  1
  Zr  Zr2  1  0.419659  0.235190  0.339672  1
  Zr  Zr3  1  0.600201  0.841483  0.333371  1
  Zr  Zr4  1  0.823866  0.929246  0.299157  1
  Zr  Zr5  1  0.241199  0.967161  0.289498  1
  Zr  Zr6  1  0.194984  0.795491  0.346529  1
  Zr  Zr7  1  0.918065  0.290327  0.322629  1
  Zr  Zr8  1  0.506605  0.485359  0.310318  1
  Zr  Zr9  1  0.840357  0.129527  0.378385  1
  Zr  Zr10  1  0.249968  0.827314  0.423807  1
  Zr  Zr11  1  0.432729  0.435310  0.416980  1
  Zr  Zr12  1  0.658189  0.518112  0.384350  1
  Zr  Zr13  1  0.060916  0.565371  0.371551  1
  Zr  Zr14  1  0.028462  0.389006  0.430018  1
  Zr  Zr15  1  0.737597  0.885886  0.406474  1
  Zr  Zr16  1  0.353596  0.070780  0.395994  1
  Zr  Zr17  1  0.671519  0.720644  0.462075  1
  Zr  Zr18  1  0.082656  0.419277  0.507640  1
  Zr  Zr19  1  0.266322  0.026098  0.501094  1
  Zr  Zr20  1  0.487928  0.113913  0.468631  1
  Zr  Zr21  1  0.895792  0.159232  0.455423  1
  Zr  Zr22  1  0.858422  0.980679  0.514308  1
  Zr  Zr23  1  0.570954  0.477265  0.490223  1
  Zr  Zr24  1  0.183241  0.662582  0.479523  1
  Zr  Zr25  1  0.504318  0.312537  0.545939  1
  Zr  Zr26  1  0.913653  1.010323  0.591336  1
  Zr  Zr27  1  0.097133  0.621299  0.585490  1
  Zr  Zr28  1  0.321353  0.704721  0.552631  1
  Zr  Zr29  1  0.726022  0.750767  0.539700  1
  Zr  Zr30  1  0.692641  0.574213  0.598388  1
  Zr  Zr31  1  0.400945  0.069120  0.573710  1
  Zr  Zr32  1  0.016265  0.254171  0.563264  1
  Zr  Zr33  1  0.334491  0.904744  0.629959  1
  Zr  Zr34  1  0.755206  0.597134  0.672067  1
  Zr  Zr35  1  0.927905  0.211146  0.670615  1
  Zr  Zr36  1  0.154110  0.297840  0.636420  1
  Zr  Zr37  1  0.559121  0.344683  0.623262  1
  Zr  Zr38  1  0.513825  0.173277  0.680018  1
  Zr  Zr39  1  0.244781  0.655749  0.658402  1
  Zr  Zr40  1  0.836768  0.848599  0.647160  1
  Ni  Ni41  1  0.268709  0.589211  0.275248  1
  Ni  Ni42  1  0.097643  0.771923  0.295249  1
  Ni  Ni43  1  0.326650  0.997772  0.341631  1
  Ni  Ni44  1  0.666886  0.336333  0.350580  1
  Ni  Ni45  1  0.764679  0.435183  0.285393  1
  Ni  Ni46  1  0.922677  0.716243  0.331039  1
  Ni  Ni47  1  0.502901  0.058995  0.305728  1
  Ni  Ni48  1  0.874327  0.904887  0.356619  1
  Ni  Ni49  1  0.036371  0.023000  0.329163  1
  Ni  Ni50  1  0.387659  0.739074  0.303333  1
  Ni  Ni51  1  0.498479  0.646581  0.347296  1
  Ni  Ni52  1  0.934282  0.130657  0.286400  1
  Ni  Ni53  1  0.640088  0.247303  0.295739  1
  Ni  Ni54  1  0.795491  0.527665  0.337930  1
  Ni  Ni55  1  0.741234  0.108959  0.329687  1
  Ni  Ni56  1  0.692714  0.665446  0.300930  1
  Ni  Ni57  1  0.270494  0.377060  0.295329  1
  Ni  Ni58  1  0.147435  0.389579  0.338151  1
  Ni  Ni59  1  0.233855  0.583768  0.324816  1
  Ni  Ni60  1  0.197019  0.178824  0.309523  1
  Ni  Ni61  1  0.550890  0.867737  0.278607  1
  Ni  Ni62  1  0.131070  0.178062  0.358488  1
  Ni  Ni63  1  0.933569  0.362517  0.375690  1
  Ni  Ni64  1  0.155109  0.593403  0.425753  1
  Ni  Ni65  1  0.496997  0.927792  0.438304  1
  Ni  Ni66  1  0.592683  0.028845  0.363934  1
  Ni  Ni67  1  0.764572  0.305645  0.413475  1
  Ni  Ni68  1  0.327534  0.649343  0.388643  1
  Ni  Ni69  1  0.706870  0.495581  0.440982  1
  Ni  Ni70  1  0.866236  0.619303  0.414330  1
  Ni  Ni71  1  0.225385  0.334533  0.387129  1
  Ni  Ni72  1  0.331291  0.240426  0.431531  1
  Ni  Ni73  1  0.755755  0.716159  0.370956  1
  Ni  Ni74  1  0.451413  0.838140  0.378369  1
  Ni  Ni75  1  0.637093  0.118093  0.423634  1
  Ni  Ni76  1  0.565102  0.705049  0.412813  1
  Ni  Ni77  1  0.530454  0.252308  0.388021  1
  Ni  Ni78  1  0.114035  0.972545  0.379889  1
  Ni  Ni79  1  0.975837  0.983198  0.421966  1
  Ni  Ni80  1  0.070246  0.178206  0.408335  1
  Ni  Ni81  1  0.019591  0.777696  0.393298  1
  Ni  Ni82  1  0.386302  0.458868  0.360686  1
  Ni  Ni83  1  0.960501  0.774436  0.442963  1
  Ni  Ni84  1  0.766027  0.956456  0.460174  1
  Ni  Ni85  1  0.988145  0.183585  0.509545  1
  Ni  Ni86  1  0.329702  0.519868  0.521916  1
  Ni  Ni87  1  0.424495  0.619936  0.447860  1
  Ni  Ni88  1  0.594759  0.897167  0.497169  1
  Ni  Ni89  1  0.159589  0.242749  0.472541  1
  Ni  Ni90  1  0.539720  0.087094  0.524941  1
  Ni  Ni91  1  0.698985  0.211218  0.498117  1
  Ni  Ni92  1  0.055238  0.928775  0.471627  1
  Ni  Ni93  1  0.162104  0.831432  0.515551  1
  Ni  Ni94  1  0.591837  0.308620  0.454192  1
  Ni  Ni95  1  0.283841  0.431490  0.461882  1
  Ni  Ni96  1  0.470752  0.708302  0.507823  1
  Ni  Ni97  1  0.397458  0.299398  0.496714  1
  Ni  Ni98  1  0.356677  0.840501  0.473052  1
  Ni  Ni99  1  0.945838  0.564952  0.463836  1
  Ni  Ni100  1  0.808371  0.574944  0.505910  1
  Ni  Ni101  1  0.900141  0.770600  0.492468  1
  Ni  Ni102  1  0.854009  0.369362  0.477257  1
  Ni  Ni103  1  0.214518  0.052841  0.444786  1
  Ni  Ni104  1  0.793805  0.365610  0.526793  1
  Ni  Ni105  1  0.599229  0.546508  0.543977  1
  Ni  Ni106  1  0.820578  0.776795  0.594021  1
  Ni  Ni107  1  0.161492  0.110886  0.605639  1
  Ni  Ni108  1  0.257116  0.212172  0.531455  1
  Ni  Ni109  1  0.426635  0.490395  0.581000  1
  Ni  Ni110  1  0.989793  0.834038  0.556291  1
  Ni  Ni111  1  0.368374  0.680775  0.608925  1
  Ni  Ni112  1  0.529232  0.805080  0.582553  1
  Ni  Ni113  1  0.887853  0.520838  0.555518  1
  Ni  Ni114  1  0.998327  0.423477  0.598842  1
  Ni  Ni115  1  0.423368  0.899431  0.538155  1
  Ni  Ni116  1  0.116861  0.022065  0.546072  1
  Ni  Ni117  1  0.302855  0.301488  0.591321  1
  Ni  Ni118  1  0.224337  0.887748  0.581536  1
  Ni  Ni119  1  0.188863  0.434609  0.556904  1
  Ni  Ni120  1  0.778271  0.156773  0.547764  1
  Ni  Ni121  1  0.640132  0.167313  0.589839  1
  Ni  Ni122  1  0.734514  0.362242  0.576496  1
  Ni  Ni123  1  0.684266  0.961458  0.561395  1
  Ni  Ni124  1  0.047231  0.644220  0.528735  1
  Ni  Ni125  1  0.623308  0.961487  0.611236  1
  Ni  Ni126  1  0.427434  0.141807  0.628043  1
  Ni  Ni127  1  0.654154  0.371055  0.674806  1
  Ni  Ni128  1  0.989865  0.703800  0.684420  1
  Ni  Ni129  1  0.086923  0.804176  0.618792  1
  Ni  Ni130  1  0.251462  0.080520  0.664095  1
  Ni  Ni131  1  0.830994  0.423054  0.638779  1
  Ni  Ni132  1  0.202978  0.272157  0.691134  1
  Ni  Ni133  1  0.365169  0.401767  0.666434  1
  Ni  Ni134  1  0.717836  0.116272  0.640453  1
  Ni  Ni135  1  0.820374  1.008741  0.683270  1
  Ni  Ni136  1  0.256535  0.492394  0.622362  1
  Ni  Ni137  1  0.958722  0.611854  0.631709  1
  Ni  Ni138  1  0.114803  0.891754  0.673961  1
  Ni  Ni139  1  0.060578  0.474546  0.668765  1
  Ni  Ni140  1  0.013306  0.030873  0.640099  1
  Ni  Ni141  1  0.605967  0.750345  0.631610  1
  Ni  Ni142  1  0.480874  0.763917  0.674424  1
  Ni  Ni143  1  0.557358  0.960521  0.660234  1
  Ni  Ni144  1  0.518331  0.556952  0.645190  1
  Ni  Ni145  1  0.879916  0.234680  0.613093  1
