data_[Na12Ni18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.4708]
_cell_length_b [6.4708]
_cell_length_c [14.1728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Na2Ni3]
_chemical_formula_sum '[Na12 Ni18]'
_cell_volume [513.9303]
_cell_formula_units_Z [6]
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
[
  Na  Na0  12  0.0000  0.0000  0.4144  1
  Ni  Ni1  18  0.0000  0.2078  0.2500  1
]