data_[Cs3Al6Hg3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.7677]
_cell_length_b [6.7677]
_cell_length_c [29.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsAl2HgCl8]
_chemical_formula_sum '[Cs3 Al6 Hg3 Cl24]'
_cell_volume [1180.4378]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Al  Al1  6  0.0000  0.0000  0.2490  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0158  0.3796  0.9385  1.0
  Cl  Cl4  6  0.0000  0.0000  0.1764  1.0
]