data_KZr2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Zn
_chemical_formula_sum   'K1 Zr2 Zn1'
_cell_volume   101.83
_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
  Zr  Zr2  1  0.73  0.0  0.01  1.0
  Zr  Zr3  1  0.73  0.0  0.52  1.0
  Zn  Zn1  1  0.0  0.0  0.77  1.0

data_KZr2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   11.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZr2Zn
_chemical_formula_sum   'K1 Zr2 Zn1'
_cell_volume   101.83
_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
  Zr  Zr1  1  0.73  0.0  0.01  1.0
  Zr  Zr2  1  0.73  0.0  0.52  1.0
  Zn  Zn3  1  0.0  0.0  0.77  1.0

K Zr Zr Zn
KZr2Zn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KZr2Zn cluster. K(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Zn(1) atom. The K(1)-Zr(1) bond length is 0.85 Å. The K(1)-Zn(1) bond length is 2.70 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to one K(1) atom. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Zn(1) atom. The Zr(2)-Zn(1) bond length is 2.95 Å. Zn(1) is bonded in a 2-coordinate geometry to one K(1) and one Zr(2) atom.