# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48872719
_cell_length_b   4.13239200
_cell_length_c   47.26795587
_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   486.122392275
_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  0.999844  0.750506  0.304231  1
  Ni  Ni2  1  0.499844  0.250506  0.290470  1
  Ni  Ni3  1  0.499844  0.750506  0.349306  1
  Ni  Ni4  1  0.999844  0.250506  0.334651  1
  Ni  Ni5  1  0.999844  0.750506  0.394973  1
  Ni  Ni6  1  0.499844  0.250506  0.379959  1
  Ni  Ni7  1  0.499844  0.750506  0.440599  1
  Ni  Ni8  1  0.999844  0.250506  0.425480  1
  Ni  Ni9  1  0.999844  0.750506  0.486200  1
  Ni  Ni10  1  0.499844  0.250506  0.471046  1
  Ni  Ni11  1  0.499844  0.750506  0.531785  1
  Ni  Ni12  1  0.999844  0.250506  0.516632  1
  Ni  Ni13  1  0.999844  0.750506  0.577351  1
  Ni  Ni14  1  0.499844  0.250506  0.562233  1
  Ni  Ni15  1  0.499844  0.750506  0.622873  1
  Ni  Ni16  1  0.999844  0.250506  0.607858  1
  Ni  Ni17  1  0.999844  0.750506  0.668180  1
  Ni  Ni18  1  0.499844  0.250506  0.653525  1
  Ni  Ni19  1  0.499844  0.750506  0.712362  1
  Ni  Ni20  1  0.999844  0.250506  0.698600  1
