data_[Ba6Li3Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5521]
_cell_length_b [4.5521]
_cell_length_c [24.4058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba2LiRh]
_chemical_formula_sum '[Ba6 Li3 Rh3]'
_cell_volume [437.9719]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.7914  1.0
  Ba  Ba1  3  0.0000  0.0000  0.9588  1.0
  Li  Li2  3  0.0000  0.0000  0.5417  1.0
  Rh  Rh3  3  0.0000  0.0000  0.2084  1.0
]