# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47701237
_cell_length_b   4.09068844
_cell_length_c   47.33463756
_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   479.627013252
_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  0.000984  0.751726  0.302132  1
  Ni  Ni2  1  0.500984  0.251726  0.287704  1
  Ni  Ni3  1  0.500984  0.751726  0.347730  1
  Ni  Ni4  1  0.000984  0.251726  0.333155  1
  Ni  Ni5  1  0.000984  0.751726  0.393321  1
  Ni  Ni6  1  0.500984  0.251726  0.378313  1
  Ni  Ni7  1  0.500984  0.751726  0.438854  1
  Ni  Ni8  1  0.000984  0.251726  0.423693  1
  Ni  Ni9  1  0.000984  0.751726  0.484356  1
  Ni  Ni10  1  0.500984  0.251726  0.469143  1
  Ni  Ni11  1  0.500984  0.751726  0.529836  1
  Ni  Ni12  1  0.000984  0.251726  0.514624  1
  Ni  Ni13  1  0.000984  0.751726  0.575287  1
  Ni  Ni14  1  0.500984  0.251726  0.560125  1
  Ni  Ni15  1  0.500984  0.751726  0.620667  1
  Ni  Ni16  1  0.000984  0.251726  0.605659  1
  Ni  Ni17  1  0.000984  0.751726  0.665824  1
  Ni  Ni18  1  0.500984  0.251726  0.651250  1
  Ni  Ni19  1  0.500984  0.751726  0.711276  1
  Ni  Ni20  1  0.000984  0.251726  0.696848  1
