data_[Cs6Cd4H12]
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 [I4/mmm]
_cell_length_a [4.3694]
_cell_length_b [4.3694]
_cell_length_c [24.5385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3(CdH3)2]
_chemical_formula_sum '[Cs6 Cd4 H12]'
_cell_volume [468.4838]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1832  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.0000  0.3981  1.0
  H  H3  8  0.0000  0.5000  0.0926  1.0
  H  H4  4  0.0000  0.0000  0.3171  1.0
]