data_[K1Al1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.4118]
_cell_length_b [7.2343]
_cell_length_c [8.8058]
_cell_angle_alpha [113.2674]
_cell_angle_beta [91.1786]
_cell_angle_gamma [96.2076]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAl(HgCl4)2]
_chemical_formula_sum '[K1 Al1 Hg2 Cl8]'
_cell_volume [372.1378]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Al  Al1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4700  0.2729  0.2807  1.0
  Cl  Cl3  2  0.1280  0.7837  0.7438  1.0
  Cl  Cl4  2  0.1985  0.8752  0.1454  1.0
  Cl  Cl5  2  0.2782  0.2668  0.0323  1.0
  Cl  Cl6  2  0.4471  0.2885  0.5660  1.0
]