data_[Li24Cu3Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.8984]
_cell_length_b [6.8984]
_cell_length_c [15.8795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8CuPd6]
_chemical_formula_sum '[Li24 Cu3 Pd18]'
_cell_volume [654.4289]
_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  0.0562  0.7991  0.1286  1.0
  Li  Li1  6  0.0000  0.0000  0.4083  1.0
  Cu  Cu2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  18  0.0321  0.2556  0.7102  1.0
]