data_[Ba9Rh27]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5737]
_cell_length_b [5.5737]
_cell_length_c [26.8569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaRh3]
_chemical_formula_sum '[Ba9 Rh27]'
_cell_volume [722.5685]
_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  0.1409  1.0
  Ba  Ba1  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  18  0.0123  0.5061  0.0781  1.0
  Rh  Rh3  6  0.0000  0.0000  0.3304  1.0
  Rh  Rh4  3  -0.0000  -0.0000  0.5000  1.0
]