data_BaInCoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCoAu
_chemical_formula_sum   'Ba1 In1 Co1 Au1'
_cell_volume   99.69
_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
  Ba  Ba1  1  0.84  0.84  0.84  1.0
  In  In3  1  0.68  0.68  0.68  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.52  0.52  0.52  1.0

data_BaInCoAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaInCoAu
_chemical_formula_sum   'Ba3 In3 Co3 Au3'
_cell_volume   299.08
_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
  Ba  Ba0  3  0.0  0.0  0.16  1.0
  In  In1  3  0.0  0.0  0.32  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.48  1.0

Ba In Co Au
Ba In Co Au 0 1 o o o 0 2 + + + 1 3 o o o 
BaCoAuIn crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Co(1), three equivalent Au(1), and one In(1) atom to form distorted BaInCoAu3 trigonal bipyramids that share corners with six equivalent Ba(1)InCoAu3 trigonal bipyramids and  a cornercorner with one Au(1)Ba3In trigonal pyramid. The Ba(1)-Co(1) bond length is 2.04 Å. All Ba(1)-Au(1) bond lengths are 3.01 Å. The Ba(1)-In(1) bond length is 2.04 Å. Co(1) is bonded in a single-bond geometry to one Ba(1) atom. Au(1) is bonded to three equivalent Ba(1) and one In(1) atom to form AuBa3In trigonal pyramids that share  a cornercorner with one Ba(1)InCoAu3 trigonal bipyramid and corners with six equivalent Au(1)Ba3In trigonal pyramids. The Au(1)-In(1) bond length is 2.04 Å. In(1) is bonded in a linear geometry to one Ba(1) and one Au(1) atom.