data_InCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   143.48
_cell_angle_beta   129.32
_cell_angle_gamma   64.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo3
_chemical_formula_sum   'In1 Co3'
_cell_volume   53.53
_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  In3  1  0.0  0.0  0.15  1.0
  Co  Co0  1  0.0  0.1  0.18  1.0
  Co  Co1  1  0.54  0.0  0.97  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_InCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.19
_cell_length_c   4.9
_cell_angle_alpha   115.34
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo3
_chemical_formula_sum   'In1 Co3'
_cell_volume   53.53
_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  0.85  0.85  0.85  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.56  0.03  0.56  1.0
  Co  Co3  1  0.82  0.92  0.92  1.0

In Co Co Co
In Co Co Co 0 1 o o o 0 2 - o - 1 2 - o - 1 3 o o o 2 3 + o + 
Co3In crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Co3In cluster. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Co(3) and one In(1) atom. The Co(1)-Co(3) bond length is 0.58 Å. The Co(1)-In(1) bond length is 0.38 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one In(1) atom. The Co(2)-In(1) bond length is 1.84 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Co(1) and one In(1) atom. The Co(3)-In(1) bond length is 0.76 Å. In(1) is bonded in a single-bond geometry to one Co(1), one Co(2), and one Co(3) atom.