data_[Cd2Pb6S8]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.6634]
_cell_length_b [9.1373]
_cell_length_c [6.0375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CdPb3S4]
_chemical_formula_sum '[Cd2 Pb6 S8]'
_cell_volume [477.9242]
_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  0.8115  0.9686  1.0
  Pb  Pb1  4  0.2220  0.3435  0.9465  1.0
  Pb  Pb2  2  0.0000  0.1176  0.4433  1.0
  S  S3  4  0.2414  0.3278  0.4207  1.0
  S  S4  2  0.0000  0.0923  0.9202  1.0
  S  S5  2  0.0000  0.7878  0.4181  1.0
]