data_[Ba9Rh9O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8226]
_cell_length_b [5.8226]
_cell_length_c [22.4991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaRhO3]
_chemical_formula_sum '[Ba9 Rh9 O27]'
_cell_volume [660.5874]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.2241  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  6  0.0000  0.0000  0.3829  1.0
  Rh  Rh3  3  -0.0000  -0.0000  0.5000  1.0
  O  O4  18  0.0267  0.5134  0.2260  1.0
  O  O5  9  0.0000  0.5000  0.0000  1.0
]