data_[Cd3Sn12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6130]
_cell_length_b [7.6130]
_cell_length_c [19.4916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd(SnS2)4]
_chemical_formula_sum '[Cd3 Sn12 S24]'
_cell_volume [978.3354]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Sn  Sn1  9  0.0000  0.5000  0.0000  1
  Sn  Sn2  3  0.0000  0.0000  0.0000  1
  S  S3  18  0.0157  0.5078  0.2556  1
  S  S4  6  0.0000  0.0000  0.2587  1
]