data_[Cd12In8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8028]
_cell_length_b [10.8239]
_cell_length_c [6.3080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd3(InHg2)2]
_chemical_formula_sum '[Cd12 In8 Hg16]'
_cell_volume [934.6942]
_cell_formula_units_Z [4]
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  0.1613  0.0665  0.4197  1.0
  Cd  Cd1  4  0.0000  0.4557  0.2500  1.0
  In  In2  8  0.1989  0.3516  0.1524  1.0
  Hg  Hg3  8  0.0370  0.1582  0.0017  1.0
  Hg  Hg4  8  0.1375  0.3405  0.6462  1.0
]