data_In2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoAu
_chemical_formula_sum   'In2 Co1 Au1'
_cell_volume   72.87
_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
  In  In2  1  0.54  0.77  0.67  1.0
  In  In3  1  0.54  0.23  0.67  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.09  0.0  0.0  1.0

data_In2CoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   97.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2CoAu
_chemical_formula_sum   'In2 Co1 Au1'
_cell_volume   72.87
_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
  In  In0  1  0.67  0.54  0.23  1.0
  In  In1  1  0.67  0.54  0.77  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.09  0.0  1.0

In In Co Au
In In Co Au 0 3 o + + 0 1 o + o 0 1 o o o 0 2 + + + 1 3 o o + 1 2 + o + 2 3 o o o 
CoAuIn2 crystallizes in the triclinic P1 space group. Co(1) is bonded in a single-bond geometry to one Au(1), one In(2), and two equivalent In(1) atoms. The Co(1)-Au(1) bond length is 0.41 Å. The Co(1)-In(2) bond length is 2.76 Å. There is one shorter (2.52 Å) and one longer (3.17 Å) Co(1)-In(1) bond length. Au(1) is bonded in a single-bond geometry to one Co(1), two equivalent In(1), and two equivalent In(2) atoms. There is one shorter (2.76 Å) and one longer (3.36 Å) Au(1)-In(1) bond length. There is one shorter (2.52 Å) and one longer (3.17 Å) Au(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to two equivalent Co(1), two equivalent Au(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(1)-In(1) bond lengths are 3.33 Å. There is one shorter (2.14 Å) and one longer (2.56 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Co(1), two equivalent Au(1), and two equivalent In(1) atoms.