data_[Cd4Ge8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8286]
_cell_length_b [11.8285]
_cell_length_c [6.3027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(GeSe3)2]
_chemical_formula_sum '[Cd4 Ge8 Se24]'
_cell_volume [980.4246]
_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  0.1767  0.7500  1
  Ge  Ge1  8  0.2041  0.4126  0.7300  1
  Se  Se2  8  0.1154  0.0818  0.1797  1
  Se  Se3  8  0.1278  0.4221  0.0201  1
  Se  Se4  8  0.1438  0.2302  0.5668  1
]