data_[Li36Rh3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6816]
_cell_length_b [9.6816]
_cell_length_c [11.5235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12RhAu6]
_chemical_formula_sum '[Li36 Rh3 Au18]'
_cell_volume [935.4263]
_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  0.0360  0.8466  0.8192  1.0
  Li  Li1  18  0.0575  0.2208  0.4132  1.0
  Rh  Rh2  3  0.0000  0.0000  0.0000  1.0
  Au  Au3  18  0.0157  0.5872  0.7075  1.0
]