data_[Cd8Hg6Bi1]
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 [P-3]
_cell_length_a [11.5770]
_cell_length_b [11.5770]
_cell_length_c [3.3405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Cd8Hg6Bi]
_chemical_formula_sum '[Cd8 Hg6 Bi1]'
_cell_volume [387.7385]
_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  6  0.0768  0.2972  0.2618  1
  Cd  Cd1  2  0.3333  0.6667  0.7170  1
  Hg  Hg2  6  0.0976  0.6274  0.2252  1
  Bi  Bi3  1  0.0000  0.0000  0.5000  1
]