data_[Li4Cu8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8173]
_cell_length_b [13.4429]
_cell_length_c [6.3898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCu2HgCl6]
_chemical_formula_sum '[Li4 Cu8 Hg4 Cl24]'
_cell_volume [1035.4761]
_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
[
  Li  Li0  4  0.0000  0.0192  0.7500  1.0
  Cu  Cu1  8  0.2058  0.4290  0.7933  1.0
  Hg  Hg2  4  0.0000  0.2844  0.2500  1.0
  Cl  Cl3  8  0.1037  0.0931  0.0998  1.0
  Cl  Cl4  8  0.1323  0.2790  0.6164  1.0
  Cl  Cl5  8  0.1472  0.4323  0.0889  1.0
]