data_[Ti6H6Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5594]
_cell_length_b [5.5594]
_cell_length_c [13.5964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TiHRh3]
_chemical_formula_sum '[Ti6 H6 Rh18]'
_cell_volume [363.9283]
_cell_formula_units_Z [6]
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
[
  Ti  Ti0  3  0.0000  0.0000  0.0069  1.0
  Ti  Ti1  3  0.0000  0.0000  0.4995  1.0
  H  H2  3  0.0000  0.0000  0.2448  1.0
  H  H3  3  0.0000  0.0000  0.6432  1.0
  Rh  Rh4  9  0.0050  0.5025  0.5066  1.0
  Rh  Rh5  9  0.0117  0.5058  0.0097  1.0
]