data_[Cd4Hg8Bi4Pb16]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2281]
_cell_length_b [19.7098]
_cell_length_c [11.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdHg2BiPb4]
_chemical_formula_sum '[Cd4 Hg8 Bi4 Pb16]'
_cell_volume [986.7033]
_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  0.0960  0.2500  1.0
  Hg  Hg1  8  0.0000  0.3834  0.5401  1.0
  Bi  Bi2  4  0.0000  0.1631  0.7500  1.0
  Pb  Pb3  8  0.0000  0.2415  0.1100  1.0
  Pb  Pb4  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb5  4  0.0000  0.4683  0.2500  1.0
]