data_[Cd12Si20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.2422]
_cell_length_b [14.8102]
_cell_length_c [7.0363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Cd3Si5]
_chemical_formula_sum '[Cd12 Si20]'
_cell_volume [650.4918]
_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  4  0.0000  0.2500  0.9793  1
  Cd  Cd1  4  0.2500  0.0000  0.0000  1
  Cd  Cd2  4  0.2500  0.0000  0.5000  1
  Si  Si3  16  0.2060  0.1560  0.3009  1
  Si  Si4  4  0.0000  0.2500  0.5447  1
]