data_[K1Ga1Hg2Cl8]
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 [P-1]
_cell_length_a [6.4592]
_cell_length_b [7.2236]
_cell_length_c [8.8269]
_cell_angle_alpha [112.2409]
_cell_angle_beta [91.6916]
_cell_angle_gamma [96.1485]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KGa(HgCl4)2]
_chemical_formula_sum '[K1 Ga1 Hg2 Cl8]'
_cell_volume [377.9121]
_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
  Ga  Ga1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4727  0.2772  0.2823  1.0
  Cl  Cl3  2  0.1289  0.7785  0.7400  1.0
  Cl  Cl4  2  0.1968  0.8718  0.1483  1.0
  Cl  Cl5  2  0.2893  0.2723  0.0334  1.0
  Cl  Cl6  2  0.4466  0.2848  0.5630  1.0
]