data_Cd2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ga
_chemical_formula_sum   'Cd2 Ga1'
_cell_volume   71.16
_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
  Cd  Cd0  1  0.64  0.64  0.64  1.0
  Cd  Cd1  1  0.93  0.93  0.93  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_Cd2Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2Ga
_chemical_formula_sum   'Cd6 Ga3'
_cell_volume   213.47
_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
  Cd  Cd0  3  0.0  0.0  0.07  1.0
  Cd  Cd1  3  0.0  0.0  0.36  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0

Cd Cd Ga
GaCd2 crystallizes in the trigonal R3m space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Cd(2) and three equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing CdCd4Ga3 hexagonal pyramids. There are three shorter (2.73 Å) and one longer (3.29 Å) Cd(1)-Cd(2) bond length. All Cd(1)-Ga(1) bond lengths are 2.70 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to four equivalent Cd(1) and one Ga(1) atom. The Cd(2)-Ga(1) bond length is 0.76 Å. Ga(1) is bonded in a single-bond geometry to one Cd(2) and three equivalent Cd(1) atoms.