# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41793872
_cell_length_b   4.07137104
_cell_length_c   46.45631311
_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   457.331076604
_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  1.002526  0.758425  0.300977  1
  Ni  Ni2  1  0.502526  0.258425  0.289394  1
  Ni  Ni3  1  0.502526  0.758425  0.345059  1
  Ni  Ni4  1  1.002526  0.258425  0.331172  1
  Ni  Ni5  1  1.002526  0.758425  0.391623  1
  Ni  Ni6  1  0.502526  0.258425  0.376182  1
  Ni  Ni7  1  0.502526  0.758425  0.437392  1
  Ni  Ni8  1  1.002526  0.258425  0.422014  1
  Ni  Ni9  1  1.002526  0.758425  0.483096  1
  Ni  Ni10  1  0.502526  0.258425  0.467801  1
  Ni  Ni11  1  0.502526  0.758425  0.528848  1
  Ni  Ni12  1  1.002526  0.258425  0.513553  1
  Ni  Ni13  1  1.002526  0.758425  0.574635  1
  Ni  Ni14  1  0.502526  0.258425  0.559258  1
  Ni  Ni15  1  0.502526  0.758425  0.620467  1
  Ni  Ni16  1  1.002526  0.258425  0.605027  1
  Ni  Ni17  1  1.002526  0.758425  0.665478  1
  Ni  Ni18  1  0.502526  0.258425  0.651590  1
  Ni  Ni19  1  0.502526  0.758425  0.707255  1
  Ni  Ni20  1  1.002526  0.258425  0.695672  1
