data_[Cs4Mg4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.0612]
_cell_length_b [12.3279]
_cell_length_c [9.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMgHgCl5]
_chemical_formula_sum '[Cs4 Mg4 Hg4 Cl20]'
_cell_volume [995.5197]
_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
[
  Cs  Cs0  4  0.0000  0.3408  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.3092  0.7500  1.0
  Cl  Cl3  8  0.1012  0.1893  0.5848  1.0
  Cl  Cl4  8  0.2033  0.4293  0.9420  1.0
  Cl  Cl5  4  0.0000  0.0540  0.2500  1.0
]