data_[Cd12In4Hg8]
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/m]
_cell_length_a [14.0739]
_cell_length_b [4.2768]
_cell_length_c [10.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3InHg2]
_chemical_formula_sum '[Cd12 In4 Hg8]'
_cell_volume [601.2883]
_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  4  0.0466  0.0000  0.3846  1.0
  Cd  Cd1  4  0.1217  0.5000  0.6171  1.0
  Cd  Cd2  4  0.2132  0.5000  0.3832  1.0
  In  In3  4  0.1286  0.0000  0.1200  1.0
  Hg  Hg4  4  0.0307  0.5000  0.8542  1.0
  Hg  Hg5  4  0.2019  0.0000  0.8625  1.0
]