data_[Cs8Cd4H12]
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 [C2/c]
_cell_length_a [12.3021]
_cell_length_b [6.2016]
_cell_length_c [7.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2CdH3]
_chemical_formula_sum '[Cs8 Cd4 H12]'
_cell_volume [566.9735]
_cell_formula_units_Z [4]
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  8  0.1641  0.4973  0.0832  1
  Cd  Cd1  4  0.0000  0.0080  0.7500  1
  H  H2  8  0.1159  0.0011  0.0650  1
  H  H3  4  0.0000  0.3214  0.7500  1
]