data_[Cd16Hg12Pb8]
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
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.2036]
_cell_length_b [18.3530]
_cell_length_c [8.4327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cd4Hg3Pb2]
_chemical_formula_sum '[Cd16 Hg12 Pb8]'
_cell_volume [960.1082]
_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  8  0.0000  0.1665  0.9840  1.0
  Cd  Cd1  8  0.2500  0.0784  0.2500  1.0
  Hg  Hg2  8  0.2500  0.2445  0.2500  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  8  0.0000  0.0823  0.6135  1.0
]