data_[K1In1Hg2Cl8]
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 [6.7329]
_cell_length_b [6.7640]
_cell_length_c [8.7594]
_cell_angle_alpha [83.2034]
_cell_angle_beta [73.7763]
_cell_angle_gamma [88.8604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KIn(HgCl4)2]
_chemical_formula_sum '[K1 In1 Hg2 Cl8]'
_cell_volume [380.2974]
_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
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4621  0.4876  0.7504  1.0
  Cl  Cl3  2  0.1822  0.8225  0.1811  1.0
  Cl  Cl4  2  0.2375  0.3369  0.9931  1.0
  Cl  Cl5  2  0.2553  0.8785  0.7584  1.0
  Cl  Cl6  2  0.2674  0.3992  0.4779  1.0
]