# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95543780
_cell_length_b   4.95543780
_cell_length_c   46.70326308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   993.211902646
_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  0.504358  0.752749  0.294834  1
  Ni  Ni2  1  0.836753  0.918947  0.337618  1
  Ni  Ni3  1  1.002951  0.251341  0.294834  1
  Ni  Ni4  1  1.002951  0.752749  0.294834  1
  Ni  Ni5  1  0.833582  0.417361  0.336630  1
  Ni  Ni6  1  0.170086  0.585613  0.380049  1
  Ni  Ni7  1  0.338339  0.922117  0.336630  1
  Ni  Ni8  1  0.338339  0.417361  0.336630  1
  Ni  Ni9  1  0.170736  0.085938  0.380581  1
  Ni  Ni10  1  0.503420  0.252280  0.424190  1
  Ni  Ni11  1  0.669762  0.584964  0.380581  1
  Ni  Ni12  1  0.669762  0.085938  0.380581  1
  Ni  Ni13  1  0.502994  0.752067  0.424031  1
  Ni  Ni14  1  0.836753  0.918947  0.467637  1
  Ni  Ni15  1  0.003632  0.252705  0.424031  1
  Ni  Ni16  1  0.003632  0.752067  0.424031  1
  Ni  Ni17  1  0.836903  0.419022  0.467713  1
  Ni  Ni18  1  0.170086  0.585613  0.511367  1
  Ni  Ni19  1  0.336678  0.918796  0.467713  1
  Ni  Ni20  1  0.336678  0.419022  0.467713  1
  Ni  Ni21  1  0.169941  0.085540  0.511301  1
  Ni  Ni22  1  0.503420  0.252280  0.554838  1
  Ni  Ni23  1  0.670159  0.585759  0.511301  1
  Ni  Ni24  1  0.670159  0.085540  0.511301  1
  Ni  Ni25  1  0.503712  0.752426  0.554974  1
  Ni  Ni26  1  0.836753  0.918947  0.598841  1
  Ni  Ni27  1  1.003274  0.251988  0.554974  1
  Ni  Ni28  1  1.003274  0.752426  0.554974  1
  Ni  Ni29  1  0.835939  0.418540  0.598473  1
  Ni  Ni30  1  0.170086  0.585613  0.641426  1
  Ni  Ni31  1  0.337160  0.919760  0.598473  1
  Ni  Ni32  1  0.337160  0.418540  0.598473  1
  Ni  Ni33  1  0.172204  0.086672  0.642434  1
  Ni  Ni34  1  0.503420  0.252280  0.688053  1
  Ni  Ni35  1  0.669028  0.583496  0.642434  1
  Ni  Ni36  1  0.669028  0.086672  0.642434  1
  Ni  Ni37  1  0.498958  0.750049  0.684968  1
  Ni  Ni38  1  0.836753  0.918947  0.724877  1
  Ni  Ni39  1  0.005650  0.256741  0.684968  1
  Ni  Ni40  1  0.005650  0.750049  0.684968  1
