data_[K2In2Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  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 [7.5604]
_cell_length_b [7.7129]
_cell_length_c [9.2618]
_cell_angle_alpha [104.5800]
_cell_angle_beta [103.2658]
_cell_angle_gamma [98.6469]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2In2HgCl6]
_chemical_formula_sum '[K2 In2 Hg1 Cl6]'
_cell_volume [496.1704]
_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  2  0.2203  0.7796  0.4973  1
  In  In1  2  0.0552  0.0491  0.1609  1
  Hg  Hg2  1  0.5000  0.5000  0.0000  1
  Cl  Cl3  2  0.0383  0.3601  0.3015  1
  Cl  Cl4  2  0.1282  0.1291  0.7168  1
  Cl  Cl5  2  0.3674  0.0184  0.2882  1
]