data_[Li18Cu3Pd24]
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 [6.9938]
_cell_length_b [6.9938]
_cell_length_c [16.0432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6CuPd8]
_chemical_formula_sum '[Li18 Cu3 Pd24]'
_cell_volume [679.5817]
_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  0.0211  0.2661  0.3847  1
  Cu  Cu1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  18  0.0076  0.7572  0.1188  1
  Pd  Pd3  6  0.0000  0.0000  0.2572  1
]