data_KNaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaCo4
_chemical_formula_sum   'K1 Na1 Co4'
_cell_volume   97.38
_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  0.48  0.48  0.48  1.0
  Na  Na5  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.57  0.57  0.73  1.0
  Co  Co1  1  0.57  0.73  0.57  1.0
  Co  Co2  1  0.73  0.57  0.57  1.0
  Co  Co3  1  0.73  0.73  0.73  1.0

data_KNaCo4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaCo4
_chemical_formula_sum   'K3 Na3 Co12'
_cell_volume   292.13
_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  0.52  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Co  Co2  9  0.05  0.11  0.38  1.0
  Co  Co3  3  0.0  0.0  0.27  1.0

K Na Co Co Co Co
KNaCo4 crystallizes in the trigonal R3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent Na(1), three equivalent Co(1), and three equivalent Co(2) atoms. All K(1)-Na(1) bond lengths are 3.49 Å. All K(1)-Co(1) bond lengths are 1.92 Å. All K(1)-Co(2) bond lengths are 3.14 Å. Na(1) is bonded in a 13-coordinate geometry to three equivalent K(1), four equivalent Co(2), and six equivalent Co(1) atoms. There are three shorter (3.10 Å) and one longer (3.38 Å) Na(1)-Co(2) bond length. All Na(1)-Co(1) bond lengths are 2.82 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Na(1), and three equivalent Co(1) atoms. All Co(2)-Co(1) bond lengths are 1.45 Å. In the second Co site, Co(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent Na(1), one Co(2), and two equivalent Co(1) atoms. Both Co(1)-Co(1) bond lengths are 0.84 Å.