# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.40576263
_cell_length_b   8.51139239
_cell_length_c   47.12870898
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.90529582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   955.410947404
_cell_formula_units_Z   40
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  0.270097  0.970803  0.286113  1
  Ni  Ni2  1  0.022057  0.466702  0.305477  1
  Ni  Ni3  1  0.399045  0.712916  0.302181  1
  Ni  Ni4  1  0.166441  0.177747  0.319577  1
  Ni  Ni5  1  0.795137  0.920612  0.326134  1
  Ni  Ni6  1  0.561496  0.387502  0.345651  1
  Ni  Ni7  1  0.933521  0.643557  0.343163  1
  Ni  Ni8  1  0.696942  0.116513  0.362860  1
  Ni  Ni9  1  0.326637  0.857243  0.368705  1
  Ni  Ni10  1  0.091316  0.327692  0.389613  1
  Ni  Ni11  1  0.464316  0.581816  0.386532  1
  Ni  Ni12  1  0.227744  0.054906  0.407512  1
  Ni  Ni13  1  0.855877  0.798636  0.412327  1
  Ni  Ni14  1  0.620441  0.269381  0.433587  1
  Ni  Ni15  1  0.993299  0.523730  0.430334  1
  Ni  Ni16  1  0.757236  0.995827  0.451758  1
  Ni  Ni17  1  0.385049  0.740167  0.455945  1
  Ni  Ni18  1  0.149556  0.211073  0.477503  1
  Ni  Ni19  1  0.522369  0.465491  0.474106  1
  Ni  Ni20  1  0.286693  0.936797  0.495710  1
  Ni  Ni21  1  0.914431  0.681282  0.499723  1
  Ni  Ni22  1  0.678755  0.152588  0.521328  1
  Ni  Ni23  1  0.051568  0.407006  0.517930  1
  Ni  Ni24  1  0.816075  0.877912  0.539489  1
  Ni  Ni25  1  0.443889  0.622252  0.543676  1
  Ni  Ni26  1  0.207825  0.094350  0.565099  1
  Ni  Ni27  1  0.580684  0.348698  0.561847  1
  Ni  Ni28  1  0.345247  0.819443  0.583106  1
  Ni  Ni29  1  0.973380  0.563173  0.587921  1
  Ni  Ni30  1  0.736808  0.036263  0.608902  1
  Ni  Ni31  1  0.109809  0.290388  0.605820  1
  Ni  Ni32  1  0.874487  0.760836  0.626729  1
  Ni  Ni33  1  0.504183  0.501566  0.632574  1
  Ni  Ni34  1  0.267603  0.974522  0.652270  1
  Ni  Ni35  1  0.639628  0.230577  0.649783  1
  Ni  Ni36  1  0.405988  0.697467  0.669300  1
  Ni  Ni37  1  0.034683  0.440332  0.675857  1
  Ni  Ni38  1  0.802079  0.905163  0.693253  1
  Ni  Ni39  1  0.179067  0.151377  0.689956  1
  Ni  Ni40  1  0.931027  0.647276  0.709320  1
