data_[Cd4Bi4S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0587]
_cell_length_b [4.0163]
_cell_length_c [9.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdBiS2Cl]
_chemical_formula_sum '[Cd4 Bi4 S8 Cl4]'
_cell_volume [499.4919]
_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  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  4  0.2237  0.5000  0.2999  1.0
  S  S3  4  0.0855  0.0000  0.2519  1.0
  S  S4  4  0.1442  0.5000  0.5537  1.0
  Cl  Cl5  4  0.1319  0.5000  0.9276  1.0
]