data_[Li36Cd18Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0661]
_cell_length_b [10.0661]
_cell_length_c [12.2291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Cd6Ni]
_chemical_formula_sum '[Li36 Cd18 Ni3]'
_cell_volume [1073.1324]
_cell_formula_units_Z [3]
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
[
  Li  Li0  18  0.0390  0.8560  0.8163  1
  Li  Li1  18  0.0626  0.2152  0.4112  1
  Cd  Cd2  18  0.0313  0.5929  0.7093  1
  Ni  Ni3  3  0.0000  0.0000  0.0000  1
]