data_[Cs1Al1Hg2Cl8]
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 [P-1]
_cell_length_a [6.3894]
_cell_length_b [7.0797]
_cell_length_c [8.7455]
_cell_angle_alpha [74.2491]
_cell_angle_beta [83.1891]
_cell_angle_gamma [88.3911]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAl(HgCl4)2]
_chemical_formula_sum '[Cs1 Al1 Hg2 Cl8]'
_cell_volume [378.0585]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4729  0.9524  0.7403  1.0
  Cl  Cl3  2  0.1174  0.0114  0.2484  1.0
  Cl  Cl4  2  0.2059  0.7311  0.9958  1.0
  Cl  Cl5  2  0.2784  0.2132  0.8514  1.0
  Cl  Cl6  2  0.4889  0.7275  0.5681  1.0
]