# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46804359
_cell_length_b   4.15756284
_cell_length_c   47.24039056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni20
_cell_volume   484.735836693
_cell_formula_units_Z   20
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  0.002338  0.752526  0.301924  1
  Ni  Ni2  1  0.502338  0.252526  0.289792  1
  Ni  Ni3  1  0.502338  0.752526  0.347512  1
  Ni  Ni4  1  0.002338  0.252526  0.333796  1
  Ni  Ni5  1  0.002338  0.752526  0.393422  1
  Ni  Ni6  1  0.502338  0.252526  0.378713  1
  Ni  Ni7  1  0.502338  0.752526  0.439172  1
  Ni  Ni8  1  0.002338  0.252526  0.424090  1
  Ni  Ni9  1  0.002338  0.752526  0.484831  1
  Ni  Ni10  1  0.502338  0.252526  0.469613  1
  Ni  Ni11  1  0.502338  0.752526  0.530430  1
  Ni  Ni12  1  0.002338  0.252526  0.515212  1
  Ni  Ni13  1  0.002338  0.752526  0.575954  1
  Ni  Ni14  1  0.502338  0.252526  0.560872  1
  Ni  Ni15  1  0.502338  0.752526  0.621331  1
  Ni  Ni16  1  0.002338  0.252526  0.606621  1
  Ni  Ni17  1  0.002338  0.752526  0.666247  1
  Ni  Ni18  1  0.502338  0.252526  0.652531  1
  Ni  Ni19  1  0.502338  0.752526  0.710251  1
  Ni  Ni20  1  0.002338  0.252526  0.698119  1
