data_[Cd2In2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.2930]
_cell_length_b [8.3045]
_cell_length_c [7.0508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdIn(PbS2)2]
_chemical_formula_sum '[Cd2 In2 Pb4 S8]'
_cell_volume [392.7495]
_cell_formula_units_Z [2]
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  0.9385  0.5000  1
  In  In1  2  0.0000  0.6737  0.0000  1
  Pb  Pb2  2  0.0000  0.1715  0.0000  1
  Pb  Pb3  2  0.0000  0.4238  0.5000  1
  S  S4  4  0.2304  0.9166  0.9678  1
  S  S5  4  0.2460  0.6677  0.4839  1
]