data_[Cd8H8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5701]
_cell_length_b [12.2178]
_cell_length_c [6.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdHCl3]
_chemical_formula_sum '[Cd8 H8 Cl24]'
_cell_volume [1040.2890]
_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
[
  Cd  Cd0  4  0.0000  0.0953  0.2500  1.0
  Cd  Cd1  4  0.0000  0.2350  0.7500  1.0
  H  H2  8  0.2158  0.4115  0.9812  1.0
  Cl  Cl3  8  0.1073  0.2423  0.5257  1.0
  Cl  Cl4  8  0.1184  0.0707  0.0106  1.0
  Cl  Cl5  8  0.1287  0.4070  0.0211  1.0
]