data_[Cd4P8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0099]
_cell_length_b [13.0619]
_cell_length_c [5.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(PS3)2]
_chemical_formula_sum '[Cd4 P8 S24]'
_cell_volume [884.2102]
_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  0.2230  0.7500  1.0
  P  P1  8  0.2232  0.4190  0.1619  1.0
  S  S2  8  0.1093  0.0803  0.6167  1.0
  S  S3  8  0.1410  0.2916  0.1851  1.0
  S  S4  8  0.1557  0.4434  0.7559  1.0
]