data_KCo4Ru
_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   KCo4Ru
_chemical_formula_sum   'K1 Co4 Ru1'
_cell_volume   86.84
_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  K4  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.65  0.65  0.38  1.0
  Co  Co1  1  0.65  0.38  0.65  1.0
  Co  Co2  1  0.38  0.65  0.65  1.0
  Co  Co3  1  0.38  0.38  0.38  1.0
  Ru  Ru5  1  0.76  0.76  0.76  1.0

data_KCo4Ru
_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   KCo4Ru
_chemical_formula_sum   'K3 Co12 Ru3'
_cell_volume   260.51
_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  9  0.18  0.09  0.44  1.0
  Co  Co2  3  0.0  0.0  0.62  1.0
  Ru  Ru3  3  0.0  0.0  0.24  1.0

K Co Co Co Co Ru
KRuCo4 crystallizes in the trigonal R3m space group. K(1) is bonded in a 10-coordinate geometry to four equivalent Ru(1), three equivalent Co(1), and three equivalent Co(2) atoms. There is one shorter (2.95 Å) and three longer (3.07 Å) K(1)-Ru(1) bond lengths. All K(1)-Co(1) bond lengths are 2.46 Å. All K(1)-Co(2) bond lengths are 2.92 Å. Ru(1) is bonded in a 13-coordinate geometry to four equivalent K(1), three equivalent Co(2), and six equivalent Co(1) atoms. All Ru(1)-Co(2) bond lengths are 2.92 Å. There are three shorter (2.53 Å) and three longer (2.67 Å) Ru(1)-Co(1) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent Ru(1), one Co(2), and two equivalent Co(1) atoms. The Co(1)-Co(2) bond length is 2.33 Å. Both Co(1)-Co(1) bond lengths are 1.35 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent K(1), three equivalent Ru(1), and three equivalent Co(1) atoms.