data_[Cd2Hg2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8438]
_cell_length_b [3.9376]
_cell_length_c [14.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdHgCl4]
_chemical_formula_sum '[Cd2 Hg2 Cl8]'
_cell_volume [341.3711]
_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  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.5000  0.0000  0.5000  1
  Cl  Cl2  4  0.0480  0.0010  0.3858  1
  Cl  Cl3  4  0.4421  0.5144  0.6152  1
]