data_KCu3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCu3Sb
_chemical_formula_sum   'K1 Cu3 Sb1'
_cell_volume   126.65
_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
  Cu  Cu2  1  0.51  0.0  0.51  1.0
  Cu  Cu3  1  0.51  0.51  0.0  1.0
  Cu  Cu4  1  0.0  0.51  0.51  1.0
  Sb  Sb0  1  0.51  0.51  0.51  1.0

data_KCu3Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCu3Sb
_chemical_formula_sum   'K3 Cu9 Sb3'
_cell_volume   379.96
_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
  Cu  Cu1  9  0.17  0.83  0.34  1.0
  Sb  Sb2  3  0.0  0.0  0.51  1.0

K Cu Cu Cu Sb
KCu3Sb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. K(1) is bonded to twelve equivalent Cu(1) atoms to form KCu12 cuboctahedra that share corners with twelve equivalent K(1)Cu12 cuboctahedra, faces with six equivalent K(1)Cu12 cuboctahedra, and faces with eight equivalent Sb(1)Cu6 octahedra. There are a spread of K(1)-Cu(1) bond distances ranging from 3.47-3.63 Å. Cu(1) is bonded to four equivalent K(1) and two equivalent Sb(1) atoms to form a mixture of distorted face, corner, and edge-sharing CuK4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. There is one shorter (2.46 Å) and one longer (2.57 Å) Cu(1)-Sb(1) bond length. Sb(1) is bonded to six equivalent Cu(1) atoms to form SbCu6 octahedra that share corners with six equivalent Sb(1)Cu6 octahedra and faces with eight equivalent K(1)Cu12 cuboctahedra. The corner-sharing octahedra are not tilted.