# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48010779
_cell_length_b   4.01277668
_cell_length_c   47.26867997
_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   470.423514284
_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  0.000613  0.250883  0.303603  1
  Ni  Ni2  1  0.500613  0.750883  0.288754  1
  Ni  Ni3  1  0.500613  0.250883  0.348576  1
  Ni  Ni4  1  0.000613  0.750883  0.333763  1
  Ni  Ni5  1  0.000613  0.250883  0.394169  1
  Ni  Ni6  1  0.500613  0.750883  0.379053  1
  Ni  Ni7  1  0.500613  0.250883  0.439734  1
  Ni  Ni8  1  0.000613  0.750883  0.424535  1
  Ni  Ni9  1  0.000613  0.250883  0.485282  1
  Ni  Ni10  1  0.500613  0.750883  0.470060  1
  Ni  Ni11  1  0.500613  0.250883  0.530821  1
  Ni  Ni12  1  0.000613  0.750883  0.515599  1
  Ni  Ni13  1  0.000613  0.250883  0.576346  1
  Ni  Ni14  1  0.500613  0.750883  0.561147  1
  Ni  Ni15  1  0.500613  0.250883  0.621828  1
  Ni  Ni16  1  0.000613  0.750883  0.606713  1
  Ni  Ni17  1  0.000613  0.250883  0.667118  1
  Ni  Ni18  1  0.500613  0.750883  0.652305  1
  Ni  Ni19  1  0.500613  0.250883  0.712127  1
  Ni  Ni20  1  0.000613  0.750883  0.697278  1
