# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47317229
_cell_length_b   8.53642960
_cell_length_c   46.01798258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.62536278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   961.174893465
_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  0.513206  0.979471  0.273880  1
  Ni  Ni2  1  0.278576  0.449891  0.295951  1
  Ni  Ni3  1  0.649099  0.708132  0.291661  1
  Ni  Ni4  1  0.415729  0.174763  0.313146  1
  Ni  Ni5  1  0.044486  0.917279  0.319298  1
  Ni  Ni6  1  0.810704  0.385327  0.341378  1
  Ni  Ni7  1  0.183092  0.640240  0.337004  1
  Ni  Ni8  1  0.948410  0.109578  0.359476  1
  Ni  Ni9  1  0.577145  0.852190  0.364187  1
  Ni  Ni10  1  0.343275  0.320095  0.386702  1
  Ni  Ni11  1  0.715296  0.575878  0.382693  1
  Ni  Ni12  1  0.481389  0.043695  0.405242  1
  Ni  Ni13  1  0.109498  0.787594  0.409527  1
  Ni  Ni14  1  0.875779  0.255101  0.432137  1
  Ni  Ni15  1  0.247863  0.510788  0.428179  1
  Ni  Ni16  1  0.014030  0.978475  0.450820  1
  Ni  Ni17  1  0.642042  0.722576  0.454931  1
  Ni  Ni18  1  0.408293  0.190114  0.477596  1
  Ni  Ni19  1  0.780399  0.445763  0.473641  1
  Ni  Ni20  1  0.546619  0.913352  0.496315  1
  Ni  Ni21  1  0.174603  0.657511  0.500383  1
  Ni  Ni22  1  0.940823  0.125101  0.523057  1
  Ni  Ni23  1  0.312929  0.380749  0.519102  1
  Ni  Ni24  1  0.079180  0.848288  0.541767  1
  Ni  Ni25  1  0.707192  0.592388  0.545878  1
  Ni  Ni26  1  0.473359  0.060075  0.568519  1
  Ni  Ni27  1  0.845442  0.315763  0.564561  1
  Ni  Ni28  1  0.611724  0.783269  0.587171  1
  Ni  Ni29  1  0.239833  0.527168  0.591456  1
  Ni  Ni30  1  0.005926  0.994986  0.614005  1
  Ni  Ni31  1  0.377946  0.250768  0.609996  1
  Ni  Ni32  1  0.144077  0.718674  0.632510  1
  Ni  Ni33  1  0.772812  0.461285  0.637221  1
  Ni  Ni34  1  0.538130  0.930623  0.659694  1
  Ni  Ni35  1  0.910518  0.185536  0.655320  1
  Ni  Ni36  1  0.676736  0.653584  0.677399  1
  Ni  Ni37  1  0.305492  0.396100  0.683552  1
  Ni  Ni38  1  0.072123  0.862732  0.705037  1
  Ni  Ni39  1  0.442646  0.120973  0.700746  1
  Ni  Ni40  1  0.208016  0.591392  0.722818  1
