data_[Cd4Hg4Pb4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6338]
_cell_length_b [8.9750]
_cell_length_c [7.7365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdHgPbCl4]
_chemical_formula_sum '[Cd4 Hg4 Pb4 Cl16]'
_cell_volume [944.5709]
_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  0.1347  0.5000  0.3759  1.0
  Hg  Hg1  4  0.0575  0.0000  0.8106  1.0
  Pb  Pb2  4  0.2442  0.0000  0.1146  1.0
  Cl  Cl3  8  0.1523  0.3007  0.1396  1.0
  Cl  Cl4  4  0.0692  0.5000  0.6854  1.0
  Cl  Cl5  4  0.1938  0.0000  0.4663  1.0
]