data_K2ZrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   5.21
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrHg
_chemical_formula_sum   'K2 Zr1 Hg1'
_cell_volume   123.84
_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  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.87  0.61  0.0  1.0
  Zr  Zr3  1  0.87  0.0  0.17  1.0
  Hg  Hg0  1  0.0  0.61  0.17  1.0

data_K2ZrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.21
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrHg
_chemical_formula_sum   'K2 Zr1 Hg1'
_cell_volume   123.84
_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  0.0  0.0  0.0  1.0
  K  K1  1  0.87  0.61  -0.0  1.0
  Zr  Zr2  1  0.87  0.0  0.17  1.0
  Hg  Hg3  1  -0.0  0.61  0.17  1.0

K K Zr Hg
K K Zr Hg 0 2 - o o 1 3 + o o 
KZrKHg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KHg cluster and one KZr cluster. In the KHg cluster, K(2) is bonded in a single-bond geometry to one Hg(1) atom. The K(2)-Hg(1) bond length is 1.17 Å. Hg(1) is bonded in a single-bond geometry to one K(2) atom. In the KZr cluster, K(1) is bonded in a single-bond geometry to one Zr(1) atom. The K(1)-Zr(1) bond length is 1.17 Å. Zr(1) is bonded in a single-bond geometry to one K(1) atom.