# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27422038
_cell_length_b   8.53423157
_cell_length_c   46.79499056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.48636320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1652.47745737
_cell_formula_units_Z   68
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  0.011441  0.135421  0.284651  1
  Ni  Ni2  1  0.772145  0.620695  0.296874  1
  Ni  Ni3  1  0.469468  0.891410  0.278913  1
  Ni  Ni4  1  0.236787  0.377192  0.290818  1
  Ni  Ni5  1  0.529416  0.111431  0.310876  1
  Ni  Ni6  1  0.284838  0.600307  0.323328  1
  Ni  Ni7  1  0.984035  0.865086  0.304046  1
  Ni  Ni8  1  0.742168  0.355944  0.317201  1
  Ni  Ni9  1  0.041603  0.088171  0.337124  1
  Ni  Ni10  1  0.796472  0.577853  0.349997  1
  Ni  Ni11  1  0.495510  0.843493  0.330842  1
  Ni  Ni12  1  0.252499  0.333419  0.343639  1
  Ni  Ni13  1  0.551524  0.066770  0.363311  1
  Ni  Ni14  1  0.307084  0.555851  0.376193  1
  Ni  Ni15  1  0.007449  0.822146  0.356749  1
  Ni  Ni16  1  0.764558  0.311194  0.369758  1
  Ni  Ni17  1  0.062401  0.044493  0.389643  1
  Ni  Ni18  1  0.818042  0.533360  0.402657  1
  Ni  Ni19  1  0.519819  0.799922  0.383135  1
  Ni  Ni20  1  0.276126  0.289101  0.396163  1
  Ni  Ni21  1  0.573487  0.022338  0.415951  1
  Ni  Ni22  1  0.329075  0.511324  0.428993  1
  Ni  Ni23  1  0.031506  0.777699  0.409365  1
  Ni  Ni24  1  0.787390  0.266834  0.422469  1
  Ni  Ni25  1  0.084612  1.000120  0.442268  1
  Ni  Ni26  1  0.840197  0.489093  0.455360  1
  Ni  Ni27  1  0.542884  0.755613  0.435707  1
  Ni  Ni28  1  0.298550  0.244678  0.448811  1
  Ni  Ni29  1  0.595725  0.977981  0.468597  1
  Ni  Ni30  1  0.351311  0.466953  0.481701  1
  Ni  Ni31  1  0.054087  0.733468  0.462018  1
  Ni  Ni32  1  0.809704  0.222475  0.475139  1
  Ni  Ni33  1  0.106862  0.955793  0.494922  1
  Ni  Ni34  1  0.862437  0.444785  0.508039  1
  Ni  Ni35  1  0.565246  0.711326  0.488354  1
  Ni  Ni36  1  0.320821  0.200319  0.501472  1
  Ni  Ni37  1  0.617979  0.933637  0.521255  1
  Ni  Ni38  1  0.373596  0.422643  0.534375  1
  Ni  Ni39  1  0.076372  0.689159  0.514692  1
  Ni  Ni40  1  0.831958  0.178131  0.527797  1
  Ni  Ni41  1  0.129133  0.911433  0.547582  1
  Ni  Ni42  1  0.884799  0.400498  0.560686  1
  Ni  Ni43  1  0.587486  0.667018  0.541033  1
  Ni  Ni44  1  0.343071  0.155992  0.554126  1
  Ni  Ni45  1  0.640293  0.889278  0.573925  1
  Ni  Ni46  1  0.396177  0.378412  0.587028  1
  Ni  Ni47  1  0.098608  0.644787  0.567400  1
  Ni  Ni48  1  0.854196  0.133773  0.580442  1
  Ni  Ni49  1  0.151557  0.867011  0.600230  1
  Ni  Ni50  1  0.907864  0.356189  0.613258  1
  Ni  Ni51  1  0.609641  0.622751  0.593736  1
  Ni  Ni52  1  0.365282  0.111618  0.606751  1
  Ni  Ni53  1  0.663125  0.844918  0.626635  1
  Ni  Ni54  1  0.420234  0.333966  0.639645  1
  Ni  Ni55  1  0.120599  0.600260  0.620200  1
  Ni  Ni56  1  0.876159  0.089341  0.633082  1
  Ni  Ni57  1  0.175184  0.822693  0.652755  1
  Ni  Ni58  1  0.932173  0.312618  0.665552  1
  Ni  Ni59  1  0.631211  0.578259  0.646396  1
  Ni  Ni60  1  0.386080  0.067940  0.659269  1
  Ni  Ni61  1  0.685515  0.800167  0.679193  1
  Ni  Ni62  1  0.443648  0.291026  0.692348  1
  Ni  Ni63  1  0.142845  0.555805  0.673066  1
  Ni  Ni64  1  0.898267  0.044681  0.685517  1
  Ni  Ni65  1  0.190896  0.778919  0.705576  1
  Ni  Ni66  1  0.958215  0.264701  0.717481  1
  Ni  Ni67  1  0.655538  0.535416  0.699519  1
  Ni  Ni68  1  0.416242  0.020691  0.711742  1
