data_KCoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoW
_chemical_formula_sum   'K1 Co1 W1'
_cell_volume   85.35
_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
  Co  Co0  1  0.75  0.75  0.75  1.0
  W  W2  1  0.24  0.24  0.24  1.0

data_KCoW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCoW
_chemical_formula_sum   'K3 Co3 W3'
_cell_volume   256.04
_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
  Co  Co1  3  0.0  0.0  0.25  1.0
  W  W2  3  0.0  0.0  0.76  1.0

K Co W
KWCo 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 W(1) and four equivalent Co(1) atoms. There is one shorter (2.93 Å) and three longer (3.06 Å) K(1)-W(1) bond lengths. There are three shorter (3.02 Å) and one longer (3.06 Å) K(1)-Co(1) bond length. W(1) is bonded to four equivalent K(1) atoms to form distorted WK4 tetrahedra that share corners with four equivalent Co(1)K4 tetrahedra, corners with twelve equivalent W(1)K4 tetrahedra, and edges with six equivalent Co(1)K4 tetrahedra. Co(1) is bonded to four equivalent K(1) atoms to form distorted CoK4 tetrahedra that share corners with four equivalent W(1)K4 tetrahedra, corners with twelve equivalent Co(1)K4 tetrahedra, and edges with six equivalent W(1)K4 tetrahedra.