# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47963924
_cell_length_b   5.89260866
_cell_length_c   47.66131349
_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   Ni28
_cell_volume   696.40536234
_cell_formula_units_Z   28
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  0.501023  0.576096  0.315096  1
  Ni  Ni2  1  1.001023  0.834281  0.283712  1
  Ni  Ni3  1  1.001023  0.903971  0.335759  1
  Ni  Ni4  1  0.501023  0.170110  0.303331  1
  Ni  Ni5  1  0.501023  0.050791  0.377386  1
  Ni  Ni6  1  1.001023  0.313098  0.346197  1
  Ni  Ni7  1  1.001023  0.375377  0.398171  1
  Ni  Ni8  1  0.501023  0.638785  0.366890  1
  Ni  Ni9  1  0.501023  0.523998  0.439799  1
  Ni  Ni10  1  1.001023  0.787331  0.408556  1
  Ni  Ni11  1  1.001023  0.848285  0.460625  1
  Ni  Ni12  1  0.501023  0.111717  0.429392  1
  Ni  Ni13  1  0.501023  0.997103  0.502254  1
  Ni  Ni14  1  1.001023  0.260535  0.471022  1
  Ni  Ni15  1  1.001023  0.321395  0.523088  1
  Ni  Ni16  1  0.501023  0.584827  0.491857  1
  Ni  Ni17  1  0.501023  0.470213  0.564718  1
  Ni  Ni18  1  1.001023  0.733645  0.533485  1
  Ni  Ni19  1  1.001023  0.794599  0.585554  1
  Ni  Ni20  1  0.501023  0.057932  0.554312  1
  Ni  Ni21  1  0.501023  0.943146  0.627220  1
  Ni  Ni22  1  1.001023  0.206553  0.595939  1
  Ni  Ni23  1  1.001023  0.268832  0.647913  1
  Ni  Ni24  1  0.501023  0.531140  0.616724  1
  Ni  Ni25  1  0.501023  0.411820  0.690780  1
  Ni  Ni26  1  1.001023  0.677960  0.658352  1
  Ni  Ni27  1  1.001023  0.747649  0.710398  1
  Ni  Ni28  1  0.501023  0.005834  0.679014  1
