data_[Ba6Tb3H36Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9442]
_cell_length_b [6.9442]
_cell_length_c [14.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Tb(H4Rh)3]
_chemical_formula_sum '[Ba6 Tb3 H36 Rh9]'
_cell_volume [605.9820]
_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  6  0.0000  0.0000  0.3836  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0112  0.5056  0.3848  1
  H  H3  18  0.0899  0.5449  0.8265  1
  Rh  Rh4  9  0.0000  0.5000  0.5000  1
]