data_[Li36Ag18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8169]
_cell_length_b [9.8169]
_cell_length_c [11.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Ag6Rh]
_chemical_formula_sum '[Li36 Ag18 Rh3]'
_cell_volume [979.3683]
_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  0.0363  0.8511  0.8212  1.0
  Li  Li1  18  0.0563  0.2159  0.4113  1.0
  Ag  Ag2  18  0.0222  0.5909  0.7071  1.0
  Rh  Rh3  3  0.0000  0.0000  0.0000  1.0
]