data_[Cd1Hg12Pb3]
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 [P4/mmm]
_cell_length_a [4.5688]
_cell_length_b [4.5688]
_cell_length_c [20.3949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cd(Hg4Pb)3]
_chemical_formula_sum '[Cd1 Hg12 Pb3]'
_cell_volume [425.7239]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.0000  0.5000  0.1192  1
  Hg  Hg2  4  0.0000  0.5000  0.3740  1
  Hg  Hg3  2  0.5000  0.5000  0.2517  1
  Hg  Hg4  1  0.5000  0.5000  0.0000  1
  Hg  Hg5  1  0.5000  0.5000  0.5000  1
  Pb  Pb6  2  0.0000  0.0000  0.2416  1
  Pb  Pb7  1  0.0000  0.0000  0.5000  1
]