data_[Ba6Ca3H36Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  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 [6.7860]
_cell_length_b [6.7860]
_cell_length_c [15.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Ca(H4Rh)3]
_chemical_formula_sum '[Ba6 Ca3 H36 Rh9]'
_cell_volume [609.0493]
_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  0.3866  1.0
  Ca  Ca1  3  0.0000  0.0000  0.0000  1.0
  H  H2  18  0.0186  0.5093  0.3908  1.0
  H  H3  18  0.0758  0.5379  0.8274  1.0
  Rh  Rh4  9  0.0000  0.5000  0.5000  1.0
]