# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93991375
_cell_length_b   4.79344175
_cell_length_c   47.69700419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.01139205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1908.34442309
_cell_formula_units_Z   78
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
  Ni  Ni1  1  0.728954  0.392535  0.293624  1
  Ni  Ni2  1  0.008542  0.339660  0.304833  1
  Ni  Ni3  1  0.446826  0.451076  0.282812  1
  Ni  Ni4  1  0.798925  0.855458  0.302855  1
  Ni  Ni5  1  0.242736  0.965583  0.281385  1
  Ni  Ni6  1  0.521364  0.905656  0.291711  1
  Ni  Ni7  1  0.569468  0.237114  0.328188  1
  Ni  Ni8  1  0.850226  0.181282  0.339481  1
  Ni  Ni9  1  0.288199  0.295550  0.316548  1
  Ni  Ni10  1  0.639594  0.690599  0.337041  1
  Ni  Ni11  1  0.080221  0.798450  0.313879  1
  Ni  Ni12  1  0.360347  0.749036  0.326178  1
  Ni  Ni13  1  0.409113  0.078298  0.362352  1
  Ni  Ni14  1  0.689259  0.022244  0.373815  1
  Ni  Ni15  1  0.129467  0.128650  0.350355  1
  Ni  Ni16  1  0.476353  0.533978  0.371927  1
  Ni  Ni17  1  0.918166  0.637972  0.348290  1
  Ni  Ni18  1  0.196159  0.587519  0.360134  1
  Ni  Ni19  1  0.247454  0.918763  0.396685  1
  Ni  Ni20  1  0.527018  0.865791  0.408369  1
  Ni  Ni21  1  0.968442  0.969897  0.385251  1
  Ni  Ni22  1  0.313913  0.375302  0.406306  1
  Ni  Ni23  1  0.755672  0.479981  0.383230  1
  Ni  Ni24  1  0.034802  0.426707  0.394567  1
  Ni  Ni25  1  0.085832  0.759333  0.431281  1
  Ni  Ni26  1  0.365131  0.707085  0.442806  1
  Ni  Ni27  1  0.806668  0.811926  0.419846  1
  Ni  Ni28  1  0.152243  0.215970  0.440775  1
  Ni  Ni29  1  0.593720  0.321521  0.417833  1
  Ni  Ni30  1  0.873104  0.268567  0.429288  1
  Ni  Ni31  1  0.924060  0.600882  0.465877  1
  Ni  Ni32  1  0.203336  0.548302  0.477360  1
  Ni  Ni33  1  0.644639  0.653880  0.454362  1
  Ni  Ni34  1  0.990513  0.057309  0.475362  1
  Ni  Ni35  1  0.431616  0.163417  0.452359  1
  Ni  Ni36  1  0.711141  0.110176  0.463867  1
  Ni  Ni37  1  0.762155  0.442488  0.500402  1
  Ni  Ni38  1  0.041572  0.389620  0.511930  1
  Ni  Ni39  1  0.482695  0.495572  0.488880  1
  Ni  Ni40  1  0.828666  0.898776  0.509922  1
  Ni  Ni41  1  0.269789  0.004729  0.486872  1
  Ni  Ni42  1  0.549207  0.951861  0.498399  1
  Ni  Ni43  1  0.600221  0.284173  0.534935  1
  Ni  Ni44  1  0.879745  0.230932  0.546442  1
  Ni  Ni45  1  0.320848  0.337040  0.523439  1
  Ni  Ni46  1  0.666722  0.740469  0.544440  1
  Ni  Ni47  1  0.108025  0.846047  0.521442  1
  Ni  Ni48  1  0.387302  0.793467  0.532924  1
  Ni  Ni49  1  0.438258  0.125781  0.569514  1
  Ni  Ni50  1  0.717642  0.072828  0.580968  1
  Ni  Ni51  1  0.159118  0.178378  0.558026  1
  Ni  Ni52  1  0.504693  0.582423  0.578955  1
  Ni  Ni53  1  0.946230  0.687264  0.555996  1
  Ni  Ni54  1  0.225529  0.635016  0.567520  1
  Ni  Ni55  1  0.276560  0.967642  0.604235  1
  Ni  Ni56  1  0.555690  0.914368  0.615571  1
  Ni  Ni57  1  0.997448  0.019046  0.592495  1
  Ni  Ni58  1  0.342920  0.424452  0.613550  1
  Ni  Ni59  1  0.784344  0.528558  0.590432  1
  Ni  Ni60  1  0.063908  0.475586  0.602117  1
  Ni  Ni61  1  0.115203  0.806830  0.638667  1
  Ni  Ni62  1  0.393195  0.756377  0.650512  1
  Ni  Ni63  1  0.835008  0.860371  0.626874  1
  Ni  Ni64  1  0.181894  0.265699  0.648446  1
  Ni  Ni65  1  0.622102  0.372105  0.624986  1
  Ni  Ni66  1  0.902248  0.316051  0.636449  1
  Ni  Ni67  1  0.951014  0.645312  0.672623  1
  Ni  Ni68  1  0.231141  0.595899  0.684922  1
  Ni  Ni69  1  0.671768  0.703750  0.661760  1
  Ni  Ni70  1  0.023162  0.098798  0.682253  1
  Ni  Ni71  1  0.461135  0.213066  0.659320  1
  Ni  Ni72  1  0.741893  0.157234  0.670614  1
  Ni  Ni73  1  0.789997  0.488693  0.707090  1
  Ni  Ni74  1  0.068626  0.428766  0.717417  1
  Ni  Ni75  1  0.512437  0.538891  0.695946  1
  Ni  Ni76  1  0.864535  0.943272  0.715990  1
  Ni  Ni77  1  0.302819  0.054689  0.693968  1
  Ni  Ni78  1  0.582408  1.001814  0.705177  1
