data_[Cd4Pb4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2775]
_cell_length_b [3.5520]
_cell_length_c [5.7587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPbSO]
_chemical_formula_sum '[Cd4 Pb4 S4 O4]'
_cell_volume [349.3274]
_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
  Cd  Cd1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.1736  0.5000  0.7393  1
  S  S3  4  0.1410  0.0000  0.3864  1
  O  O4  4  0.0440  0.5000  0.7859  1
]