data_KZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnPt
_chemical_formula_sum   'K1 Zn1 Pt1'
_cell_volume   86.95
_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
  Zn  Zn2  1  0.76  0.76  0.76  1.0
  Pt  Pt1  1  0.27  0.27  0.27  1.0

data_KZnPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KZnPt
_chemical_formula_sum   'K3 Zn3 Pt3'
_cell_volume   260.85
_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  3  0.0  0.0  0.24  1.0
  Pt  Pt2  3  0.0  0.0  0.73  1.0

K Zn Pt
KPtZn is half-Heusler structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a body-centered cubic geometry to four equivalent Pt(1) and four equivalent Zn(1) atoms. There are three shorter (2.96 Å) and one longer (3.34 Å) K(1)-Pt(1) bond length. There is one shorter (2.95 Å) and three longer (3.08 Å) K(1)-Zn(1) bond lengths. Pt(1) is bonded to four equivalent K(1) atoms to form distorted PtK4 tetrahedra that share corners with four equivalent Zn(1)K4 tetrahedra, corners with twelve equivalent Pt(1)K4 tetrahedra, and edges with six equivalent Zn(1)K4 tetrahedra. Zn(1) is bonded to four equivalent K(1) atoms to form ZnK4 tetrahedra that share corners with four equivalent Pt(1)K4 tetrahedra, corners with twelve equivalent Zn(1)K4 tetrahedra, and edges with six equivalent Pt(1)K4 tetrahedra.