data_KHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   34.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgCl2
_chemical_formula_sum   'K1 Hg1 Cl2'
_cell_volume   119.94
_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  K3  1  0.0  0.0  0.64  1.0
  Hg  Hg2  1  0.18  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.2  1.0
  Cl  Cl1  1  0.18  0.0  0.65  1.0

data_KHgCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.36
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgCl2
_chemical_formula_sum   'K1 Hg1 Cl2'
_cell_volume   119.94
_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  0.36  0.0  0.36  1.0
  Hg  Hg1  1  0.16  0.18  0.16  1.0
  Cl  Cl2  1  0.35  0.18  0.35  1.0
  Cl  Cl3  1  0.8  0.0  0.8  1.0

K Hg Cl Cl