data_[Cd8Hg2Bi2]
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 [P2_1/c]
_cell_length_a [7.2300]
_cell_length_b [8.8916]
_cell_length_c [5.1996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd4HgBi]
_chemical_formula_sum '[Cd8 Hg2 Bi2]'
_cell_volume [318.7321]
_cell_formula_units_Z [2]
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  0.1652  0.1613  0.5739  1.0
  Cd  Cd1  4  0.3825  0.6595  0.4471  1.0
  Hg  Hg2  2  0.5000  0.0000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
]