data_[Li24Tl18Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.7380]
_cell_length_b [7.7380]
_cell_length_c [18.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8Tl6Pd]
_chemical_formula_sum '[Li24 Tl18 Pd3]'
_cell_volume [944.4343]
_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  0.0462  0.2567  0.1227  1.0
  Li  Li1  6  0.0000  0.0000  0.4110  1.0
  Tl  Tl2  18  0.0113  0.7467  0.7209  1.0
  Pd  Pd3  3  0.0000  0.0000  0.0000  1.0
]