data_[Li24Sm3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2391]
_cell_length_b [8.2391]
_cell_length_c [15.3879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8SmAu6]
_chemical_formula_sum '[Li24 Sm3 Au18]'
_cell_volume [904.6185]
_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  0.0146  0.2598  0.2042  1.0
  Li  Li1  6  0.0000  0.0000  0.3678  1.0
  Sm  Sm2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0009  0.6903  0.2917  1.0
]