# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49047258
_cell_length_b   2.49047258
_cell_length_c   48.98014956
_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   Ni10
_cell_volume   263.096013391
_cell_formula_units_Z   10
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  0.666415  0.333165  0.354775  1
  Ni  Ni2  1  0.333081  0.666499  0.313548  1
  Ni  Ni3  1  0.666415  0.333165  0.438206  1
  Ni  Ni4  1  0.333081  0.666499  0.396482  1
  Ni  Ni5  1  0.666415  0.333165  0.521654  1
  Ni  Ni6  1  0.333081  0.666499  0.479930  1
  Ni  Ni7  1  0.666415  0.333165  0.605102  1
  Ni  Ni8  1  0.333081  0.666499  0.563378  1
  Ni  Ni9  1  0.666415  0.333165  0.688036  1
  Ni  Ni10  1  0.333081  0.666499  0.646809  1
