data_KGaCoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaCoAu
_chemical_formula_sum   'K1 Ga1 Co1 Au1'
_cell_volume   79.75
_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  K3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.12  0.12  0.12  1.0
  Co  Co1  1  0.71  0.71  0.71  1.0
  Au  Au0  1  0.42  0.42  0.42  1.0

data_KGaCoAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KGaCoAu
_chemical_formula_sum   'K3 Ga3 Co3 Au3'
_cell_volume   239.24
_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
  Ga  Ga1  3  0.0  0.0  0.88  1.0
  Co  Co2  3  0.0  0.0  0.29  1.0
  Au  Au3  3  0.0  0.0  0.58  1.0

K Ga Co Au
K Ga Co Au 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
KCoAuGa crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to four equivalent Co(1), three equivalent Au(1), and one Ga(1) atom. There are three shorter (2.83 Å) and one longer (3.45 Å) K(1)-Co(1) bond length. All K(1)-Au(1) bond lengths are 2.96 Å. The K(1)-Ga(1) bond length is 1.47 Å. Co(1) is bonded in a 11-coordinate geometry to four equivalent K(1), four equivalent Au(1), and three equivalent Ga(1) atoms. There are three shorter (2.83 Å) and one longer (3.45 Å) Co(1)-Au(1) bond length. All Co(1)-Ga(1) bond lengths are 2.96 Å. Au(1) is bonded in a 9-coordinate geometry to three equivalent K(1), four equivalent Co(1), and three equivalent Ga(1) atoms. All Au(1)-Ga(1) bond lengths are 2.83 Å. Ga(1) is bonded in a single-bond geometry to one K(1), three equivalent Co(1), and three equivalent Au(1) atoms.