data_[Cd8Hg12Pb4]
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 [C2/m]
_cell_length_a [10.2579]
_cell_length_b [10.3842]
_cell_length_c [6.0383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Hg3Pb]
_chemical_formula_sum '[Cd8 Hg12 Pb4]'
_cell_volume [641.2146]
_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  0.1978  0.0000  1.0
  Cd  Cd1  4  0.0000  0.2473  0.5000  1.0
  Hg  Hg2  8  0.2391  0.3478  0.2373  1.0
  Hg  Hg3  4  0.1207  0.0000  0.3198  1.0
  Pb  Pb4  4  0.0852  0.5000  0.7722  1.0
]