data_[Cd4Hg4Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9559]
_cell_length_b [13.4132]
_cell_length_c [11.0690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdHgPbS3]
_chemical_formula_sum '[Cd4 Hg4 Pb4 S12]'
_cell_volume [587.3385]
_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  0.0000  0.0000  1
  Hg  Hg1  4  0.0000  0.4843  0.2500  1
  Pb  Pb2  4  0.0000  0.2328  0.7500  1
  S  S3  8  0.0000  0.3715  0.0654  1
  S  S4  4  0.0000  0.1109  0.2500  1
]