data_[Cd4Si8Te24]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4922]
_cell_length_b [15.4428]
_cell_length_c [7.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(SiTe3)2]
_chemical_formula_sum '[Cd4 Si8 Te24]'
_cell_volume [1277.4557]
_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  0.2100  0.2500  1.0
  Si  Si1  8  0.2146  0.4427  0.3805  1.0
  Te  Te2  8  0.0722  0.0787  0.5782  1.0
  Te  Te3  8  0.1513  0.4173  0.6782  1.0
  Te  Te4  8  0.1758  0.3058  0.1774  1.0
]