# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98436683
_cell_length_b   4.98436683
_cell_length_c   46.75217578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1005.89454476
_cell_formula_units_Z   40
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  0.833278  0.166630  0.305043  1
  Ni  Ni2  1  0.833278  0.666630  0.305043  1
  Ni  Ni3  1  0.333278  0.666630  0.305043  1
  Ni  Ni4  1  0.333278  0.166630  0.305043  1
  Ni  Ni5  1  0.166612  0.833297  0.348164  1
  Ni  Ni6  1  0.166612  0.333297  0.348164  1
  Ni  Ni7  1  0.666612  0.333297  0.348164  1
  Ni  Ni8  1  0.666612  0.833297  0.348164  1
  Ni  Ni9  1  0.499945  0.499963  0.391695  1
  Ni  Ni10  1  0.499945  0.999963  0.391695  1
  Ni  Ni11  1  0.999945  0.999963  0.391695  1
  Ni  Ni12  1  0.999945  0.499963  0.391695  1
  Ni  Ni13  1  0.833278  0.166630  0.435214  1
  Ni  Ni14  1  0.833278  0.666630  0.435214  1
  Ni  Ni15  1  0.333278  0.666630  0.435214  1
  Ni  Ni16  1  0.333278  0.166630  0.435214  1
  Ni  Ni17  1  0.166612  0.833297  0.478734  1
  Ni  Ni18  1  0.166612  0.333297  0.478734  1
  Ni  Ni19  1  0.666612  0.333297  0.478734  1
  Ni  Ni20  1  0.666612  0.833297  0.478734  1
  Ni  Ni21  1  0.499945  0.499963  0.522253  1
  Ni  Ni22  1  0.499945  0.999963  0.522253  1
  Ni  Ni23  1  0.999945  0.999963  0.522253  1
  Ni  Ni24  1  0.999945  0.499963  0.522253  1
  Ni  Ni25  1  0.833278  0.166630  0.565773  1
  Ni  Ni26  1  0.833278  0.666630  0.565773  1
  Ni  Ni27  1  0.333278  0.666630  0.565773  1
  Ni  Ni28  1  0.333278  0.166630  0.565773  1
  Ni  Ni29  1  0.166612  0.833297  0.609292  1
  Ni  Ni30  1  0.166612  0.333297  0.609292  1
  Ni  Ni31  1  0.666612  0.333297  0.609292  1
  Ni  Ni32  1  0.666612  0.833297  0.609292  1
  Ni  Ni33  1  0.499945  0.499963  0.652823  1
  Ni  Ni34  1  0.499945  0.999963  0.652823  1
  Ni  Ni35  1  0.999945  0.999963  0.652823  1
  Ni  Ni36  1  0.999945  0.499963  0.652823  1
  Ni  Ni37  1  0.833278  0.166630  0.695944  1
  Ni  Ni38  1  0.833278  0.666630  0.695944  1
  Ni  Ni39  1  0.333278  0.666630  0.695944  1
  Ni  Ni40  1  0.333278  0.166630  0.695944  1
