data_[Ba1Li1Rh2]
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 [Pm]
_cell_length_a [3.1130]
_cell_length_b [4.3666]
_cell_length_c [6.0864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaLiRh2]
_chemical_formula_sum '[Ba1 Li1 Rh2]'
_cell_volume [81.2064]
_cell_formula_units_Z [1]
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  1  0.4939  0.0000  0.5021  1
  Li  Li1  1  0.1079  0.5000  0.8215  1
  Rh  Rh2  1  0.1669  0.0000  0.0308  1
  Rh  Rh3  1  0.7313  0.5000  0.1456  1
]