data_[Ba6Zn3H36Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  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 [6.5976]
_cell_length_b [6.5976]
_cell_length_c [14.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Zn(H4Rh)3]
_chemical_formula_sum '[Ba6 Zn3 H36 Rh9]'
_cell_volume [556.9400]
_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  0.3766  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  H  H2  18  0.0421  0.5211  0.6123  1.0
  H  H3  18  0.0674  0.5337  0.8527  1.0
  Rh  Rh4  9  0.0000  0.5000  0.5000  1.0
]