data_[Cd6Hg3Bi3]
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
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.8092]
_cell_length_b [5.8092]
_cell_length_c [11.2755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [Cd2HgBi]
_chemical_formula_sum '[Cd6 Hg3 Bi3]'
_cell_volume [329.5313]
_cell_formula_units_Z [3]
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  6  0.0029  0.4766  0.9734  1.0
  Hg  Hg1  3  0.0000  0.4670  0.6667  1.0
  Bi  Bi2  3  0.0000  0.0396  0.1667  1.0
]