data_Cd2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Re
_chemical_formula_sum   'Cd4 Re2'
_cell_volume   110.27
_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  0.76  0.85  0.85  1.0
  Cd  Cd1  1  0.85  0.76  0.85  1.0
  Cd  Cd2  1  0.85  0.85  0.76  1.0
  Cd  Cd3  1  0.76  0.76  0.76  1.0
  Re  Re4  1  0.9  0.9  0.9  1.0
  Re  Re5  1  0.0  0.0  0.0  1.0

data_Cd2Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   13.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd2Re
_chemical_formula_sum   'Cd12 Re6'
_cell_volume   330.8
_cell_formula_units_Z   6
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  9  0.06  0.03  0.18  1.0
  Cd  Cd1  3  0.0  0.0  0.24  1.0
  Re  Re2  3  0.0  0.0  0.0  1.0
  Re  Re3  3  0.0  0.0  0.1  1.0

Cd Cd Cd Cd Re Re
ReCd2 crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted rectangular see-saw-like geometry to one Re(2) and three equivalent Cd(1) atoms. The Re(1)-Re(2) bond length is 1.28 Å. All Re(1)-Cd(1) bond lengths are 1.11 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Re(1) and three equivalent Cd(2) atoms. All Re(2)-Cd(2) bond lengths are 3.33 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Re(1), one Cd(2), and two equivalent Cd(1) atoms. The Cd(1)-Cd(2) bond length is 0.90 Å. Both Cd(1)-Cd(1) bond lengths are 0.52 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to three equivalent Re(2) and three equivalent Cd(1) atoms.