data_[Mg8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [14.1935]
_cell_length_b [13.7984]
_cell_length_c [6.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2HgCl6]
_chemical_formula_sum '[Mg8 Hg4 Cl24]'
_cell_volume [1174.7979]
_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
[
  Mg  Mg0  8  0.2021  0.4191  0.8072  1.0
  Hg  Hg1  4  0.0000  0.1984  0.7500  1.0
  Cl  Cl2  8  0.1155  0.0899  0.0870  1.0
  Cl  Cl3  8  0.1234  0.2732  0.6171  1.0
  Cl  Cl4  8  0.1453  0.4387  0.0836  1.0
]