data_[Cd4Hg2Bi1Pb2]
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 [P3m1]
_cell_length_a [3.4159]
_cell_length_b [3.4159]
_cell_length_c [24.1871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cd4Hg2BiPb2]
_chemical_formula_sum '[Cd4 Hg2 Bi1 Pb2]'
_cell_volume [244.4181]
_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  0.2341  1.0
  Cd  Cd1  1  0.0000  0.0000  0.4345  1.0
  Cd  Cd2  1  0.6667  0.3333  0.1333  1.0
  Cd  Cd3  1  0.6667  0.3333  0.9300  1.0
  Hg  Hg4  1  0.0000  0.0000  0.0319  1.0
  Hg  Hg5  1  0.6667  0.3333  0.3345  1.0
  Bi  Bi6  1  0.0000  0.0000  0.6751  1.0
  Pb  Pb7  1  0.6667  0.3333  0.5485  1.0
  Pb  Pb8  1  0.6667  0.3333  0.8010  1.0
]