data_KZn4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn4As
_chemical_formula_sum   'K1 Zn4 As1'
_cell_volume   122.34
_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
  Zn  Zn2  1  0.92  0.92  0.96  1.0
  Zn  Zn3  1  0.92  0.96  0.92  1.0
  Zn  Zn4  1  0.96  0.92  0.92  1.0
  Zn  Zn5  1  0.96  0.96  0.96  1.0
  As  As0  1  0.91  0.91  0.91  1.0

data_KZn4As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   13.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KZn4As
_chemical_formula_sum   'K3 Zn12 As3'
_cell_volume   367.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Zn  Zn1  9  0.02  0.03  0.07  1.0
  Zn  Zn2  3  0.0  0.0  0.04  1.0
  As  As3  3  0.0  0.0  0.09  1.0

K Zn Zn Zn Zn As
KZn4As is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three KZn4As clusters. K(1) is bonded in a single-bond geometry to one Zn(2) atom. The K(1)-Zn(2) bond length is 0.50 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one As(1) atom. The Zn(1)-Zn(2) bond length is 0.45 Å. Both Zn(1)-Zn(1) bond lengths are 0.26 Å. The Zn(1)-As(1) bond length is 0.34 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one K(1) and three equivalent Zn(1) atoms. As(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms.