# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48852619
_cell_length_b   4.99308633
_cell_length_c   49.79673813
_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   Ni36
_cell_volume   867.385101912
_cell_formula_units_Z   36
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  1.004242  -0.001056  0.299621  1
  Ni  Ni2  1  0.504242  0.248226  0.325030  1
  Ni  Ni3  1  0.504242  0.248226  0.276238  1
  Ni  Ni4  1  1.004242  0.497509  0.299621  1
  Ni  Ni5  1  1.004242  0.499088  0.349186  1
  Ni  Ni6  1  0.504242  0.748226  0.374007  1
  Ni  Ni7  1  0.504242  0.748226  0.323406  1
  Ni  Ni8  1  1.004242  0.997365  0.349186  1
  Ni  Ni9  1  1.004242  0.997873  0.399338  1
  Ni  Ni10  1  0.504242  0.248226  0.424473  1
  Ni  Ni11  1  0.504242  0.248226  0.374557  1
  Ni  Ni12  1  1.004242  0.498579  0.399338  1
  Ni  Ni13  1  1.004242  0.498333  0.449454  1
  Ni  Ni14  1  0.504242  0.748226  0.474496  1
  Ni  Ni15  1  0.504242  0.748226  0.424323  1
  Ni  Ni16  1  1.004242  0.998120  0.449454  1
  Ni  Ni17  1  1.004242  0.998172  0.499568  1
  Ni  Ni18  1  0.504242  0.248226  0.524610  1
  Ni  Ni19  1  0.504242  0.248226  0.474527  1
  Ni  Ni20  1  1.004242  0.498281  0.499568  1
  Ni  Ni21  1  1.004242  0.498333  0.549683  1
  Ni  Ni22  1  0.504242  0.748226  0.574813  1
  Ni  Ni23  1  0.504242  0.748226  0.524640  1
  Ni  Ni24  1  1.004242  0.998120  0.549683  1
  Ni  Ni25  1  1.004242  0.997873  0.599799  1
  Ni  Ni26  1  0.504242  0.248226  0.624580  1
  Ni  Ni27  1  0.504242  0.248226  0.574663  1
  Ni  Ni28  1  1.004242  0.498579  0.599799  1
  Ni  Ni29  1  1.004242  0.499088  0.649951  1
  Ni  Ni30  1  0.504242  0.748226  0.675730  1
  Ni  Ni31  1  0.504242  0.748226  0.625129  1
  Ni  Ni32  1  1.004242  0.997365  0.649951  1
  Ni  Ni33  1  1.004242  -0.001056  0.699516  1
  Ni  Ni34  1  0.504242  0.248226  0.722898  1
  Ni  Ni35  1  0.504242  0.248226  0.674107  1
  Ni  Ni36  1  1.004242  0.497509  0.699516  1
