data_Cd2GaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaRe
_chemical_formula_sum   'Cd2 Ga1 Re1'
_cell_volume   72.05
_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  0.39  0.78  0.45  1.0
  Cd  Cd1  1  0.39  0.22  0.45  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.79  0.0  0.0  1.0

data_Cd2GaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   115.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaRe
_chemical_formula_sum   'Cd2 Ga1 Re1'
_cell_volume   72.05
_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  0.45  0.39  0.22  1.0
  Cd  Cd1  1  0.45  0.39  0.78  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.79  0.0  1.0

Cd Cd Ga Re
Cd Cd Ga Re 0 1 o + o 0 3 o + o 0 3 o + + 1 2 o o o 1 2 o o + 2 3 - o o 
ReCd2Ga crystallizes in the triclinic P1 space group. Re(1) is bonded in a 1-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and one Ga(1) atom. There is one shorter (2.30 Å) and one longer (2.46 Å) Re(1)-Cd(1) bond length. There is one shorter (3.08 Å) and one longer (3.20 Å) Re(1)-Cd(2) bond length. The Re(1)-Ga(1) bond length is 1.12 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent Re(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Ga(1) atoms. Both Cd(1)-Cd(1) bond lengths are 2.91 Å. There is one shorter (2.33 Å) and one longer (2.91 Å) Cd(1)-Cd(2) bond length. There is one shorter (3.08 Å) and one longer (3.20 Å) Cd(1)-Ga(1) bond length. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent Re(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Ga(1) atoms. Both Cd(2)-Cd(2) bond lengths are 2.91 Å. There is one shorter (2.30 Å) and one longer (2.46 Å) Cd(2)-Ga(1) bond length. Ga(1) is bonded in a distorted single-bond geometry to one Re(1), two equivalent Cd(1), and two equivalent Cd(2) atoms.