data_[Cs9Cd9H27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3928]
_cell_length_b [6.3928]
_cell_length_c [22.9033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsCdH3]
_chemical_formula_sum '[Cs9 Cd9 H27]'
_cell_volume [810.6034]
_cell_formula_units_Z [9]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.2142  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  6  0.0000  0.0000  0.3773  1.0
  Cd  Cd3  3  -0.0000  -0.0000  0.5000  1.0
  H  H4  18  0.0430  0.5215  0.2255  1.0
  H  H5  9  0.0000  0.5000  0.0000  1.0
]