data_CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn
_chemical_formula_sum   'Cd2 In2'
_cell_volume   109.15
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.93  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.32  0.34  0.39  1.0
  In  In3  1  0.0  0.68  0.46  1.0

data_CdIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIn
_chemical_formula_sum   'Cd2 In2'
_cell_volume   109.15
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.93  1.0
  In  In2  1  0.0  0.68  0.46  1.0
  In  In3  1  0.32  0.34  0.39  1.0

Cd Cd In In
InCd crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Cd(2), one In(1), and one In(2) atom. The Cd(1)-Cd(2) bond length is 0.43 Å. The Cd(1)-In(1) bond length is 3.50 Å. The Cd(1)-In(2) bond length is 3.09 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Cd(1), one In(1), and one In(2) atom. The Cd(2)-In(1) bond length is 2.75 Å. The Cd(2)-In(2) bond length is 3.09 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Cd(1), one Cd(2), and three equivalent In(2) atoms. There are two shorter (2.69 Å) and one longer (2.77 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Cd(1), one Cd(2), and three equivalent In(1) atoms.