data_[Li36Ga3Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7940]
_cell_length_b [8.7940]
_cell_length_c [12.2776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li12GaRh6]
_chemical_formula_sum '[Li36 Ga3 Rh18]'
_cell_volume [822.2781]
_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  0.0990  0.1979  0.3875  1
  Li  Li1  18  0.1090  0.2180  0.1625  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Rh  Rh3  18  0.0134  0.5067  0.6076  1
]