data_[Ba8H24Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.2132]
_cell_length_b [12.9691]
_cell_length_c [5.4019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaH3Rh]
_chemical_formula_sum '[Ba8 H24 Rh8]'
_cell_volume [575.4013]
_cell_formula_units_Z [8]
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  4  0.0000  0.1143  0.7500  1.0
  Ba  Ba1  4  0.0000  0.3556  0.2500  1.0
  H  H2  16  0.2349  0.1805  0.0587  1.0
  H  H3  8  0.2011  0.5000  0.0000  1.0
  Rh  Rh4  8  0.2445  0.4138  0.7500  1.0
]