data_[Ba18Sb3H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.8491]
_cell_length_b [7.8491]
_cell_length_c [22.8878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ba6SbH8]
_chemical_formula_sum '[Ba18 Sb3 H24]'
_cell_volume [1221.1718]
_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  18  0.0047  0.6890  0.5762  1.0
  Sb  Sb1  3  0.0000  0.0000  0.0000  1.0
  H  H2  18  0.0105  0.6551  0.4588  1.0
  H  H3  6  0.0000  0.0000  0.3509  1.0
]