data_[Cd16Hg2Bi4]
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 [C2/m]
_cell_length_a [13.7079]
_cell_length_b [6.0695]
_cell_length_c [7.3068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8HgBi2]
_chemical_formula_sum '[Cd16 Hg2 Bi4]'
_cell_volume [569.9481]
_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  8  0.0725  0.2584  0.7062  1.0
  Cd  Cd1  4  0.1041  0.5000  0.1835  1.0
  Cd  Cd2  4  0.2344  0.0000  0.0356  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.1867  0.0000  0.4519  1.0
]