data_[Cd4Hg12Pb12]
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 [11.1829]
_cell_length_b [11.8601]
_cell_length_c [6.2308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(HgPb)3]
_chemical_formula_sum '[Cd4 Hg12 Pb12]'
_cell_volume [821.5442]
_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  0.2237  0.5000  0.3161  1.0
  Hg  Hg1  8  0.2422  0.2560  0.7402  1.0
  Hg  Hg2  4  0.1351  0.0000  0.0882  1.0
  Pb  Pb3  4  0.0000  0.1381  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2647  0.0000  1.0
  Pb  Pb5  4  0.0726  0.5000  0.7552  1.0
]