data_[Cd12Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [11.2089]
_cell_length_b [7.2677]
_cell_length_c [7.0622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Cd3Sb2]
_chemical_formula_sum '[Cd12 Sb8]'
_cell_volume [575.3079]
_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
[
  Cd  Cd0  8  0.1225  0.3820  0.9476  1
  Cd  Cd1  4  0.0000  0.0689  0.2500  1
  Sb  Sb2  8  0.1398  0.2320  0.5575  1
]