data_[K8Ga8Hg16Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.8708]
_cell_length_b [11.9283]
_cell_length_c [27.5939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [KGa(HgCl2)2]
_chemical_formula_sum '[K8 Ga8 Hg16 Cl32]'
_cell_volume [2590.6759]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1
  Ga  Ga1  8  0.0000  0.0000  0.5000  1
  Hg  Hg2  16  0.0000  0.0000  0.1468  1
  Cl  Cl3  32  0.0832  0.1450  0.7046  1
]