data_KNaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaZn2
_chemical_formula_sum   'K1 Na1 Zn2'
_cell_volume   118.1
_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  0.81  0.81  0.01  1.0
  Na  Na1  1  0.0  0.0  0.46  1.0
  Zn  Zn2  1  0.81  0.81  0.58  1.0
  Zn  Zn3  1  0.0  0.0  0.48  1.0

data_KNaZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNaZn2
_chemical_formula_sum   'K2 Na2 Zn4'
_cell_volume   236.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.31  0.5  0.01  1.0
  Na  Na1  2  0.0  0.0  0.46  1.0
  Zn  Zn2  2  0.0  0.0  0.48  1.0
  Zn  Zn3  2  0.31  0.5  0.58  1.0

K Na Zn Zn
K Na Zn Zn 0 0 + o o 0 0 o + o 0 2 o o - 0 1 + + o 1 3 o o o 1 2 - - o 2 3 + + o 
KNaZn2 crystallizes in the monoclinic Cm space group. K(1) is bonded to four equivalent K(1), one Na(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing KK4NaZn octahedra. The corner-sharing octahedra are not tilted. All K(1)-K(1) bond lengths are 3.62 Å. The K(1)-Na(1) bond length is 4.14 Å. The K(1)-Zn(1) bond length is 3.86 Å. Na(1) is bonded in a single-bond geometry to one K(1) and one Zn(2) atom. The Na(1)-Zn(2) bond length is 0.24 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one K(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.32 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Na(1) and one Zn(1) atom.