data_[K1Hg2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3436]
_cell_length_b [4.3223]
_cell_length_c [8.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KHg2Cl]
_chemical_formula_sum '[K1 Hg2 Cl1]'
_cell_volume [154.3818]
_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  0.4166  0.0000  0.3760  1
  Hg  Hg1  1  0.3130  0.5000  0.7902  1
  Hg  Hg2  1  0.8556  0.0000  0.9611  1
  Cl  Cl3  1  0.9148  0.5000  0.3727  1
]